data_2dlr_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 2dlr _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 ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mptt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.792 0.329 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 m -90.24 -54.12 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -39.11 -45.28 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.2 69.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -60.01 -57.56 12.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.432 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 11.4 m0 -54.02 -43.63 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 124' ' ' LEU . . . -62.9 -43.9 97.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.98 -57.98 7.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 m -151.34 135.5 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.571 HD12 ' CD1' ' A' ' 120' ' ' TYR . 50.0 tp -47.3 -40.71 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -49.75 -44.21 48.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -58.03 -31.85 67.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 5.6 tp -78.27 -39.89 38.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD13 ' CH2' ' A' ' 48' ' ' TRP . 34.5 mt -68.53 -44.38 74.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 14.6 pt-20 -62.59 -39.79 94.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 33.8 m-20 -76.97 145.17 73.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -44.27 2.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.01 -45.83 86.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' CA ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.14 -50.12 66.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.43 -42.05 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -55.96 -49.55 73.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -73.33 -58.84 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -38.78 -49.26 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -53.08 -59.21 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -43.73 -51.45 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 4.1 t80 -52.86 -47.59 67.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 45' ' ' VAL . 77.7 mt -67.49 -61.1 2.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -34.14 -36.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.1 mtpt -43.84 -57.74 3.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -93.29 16.0 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 54.04 45.08 28.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 m -114.0 -10.93 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ASN . 8.5 pm0 -45.08 -32.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' OE2' ' C ' ' A' ' 81' ' ' SER . 8.5 pt-20 -38.48 -26.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 42' ' ' GLU . 71.0 m-20 -62.16 -53.32 56.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 36' ' ' LEU . 26.9 m -65.34 -29.92 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.446 ' N ' HG23 ' A' ' 45' ' ' VAL . 19.7 mt -64.49 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 12.4 t80 -81.33 -39.84 24.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.57 ' CH2' HD13 ' A' ' 23' ' ' LEU . 85.5 t90 -60.81 -50.22 74.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 mt -53.26 -50.43 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . -50.73 -52.82 36.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.427 ' CB ' ' HB2' ' A' ' 108' ' ' GLN . 82.3 m -35.7 -54.12 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.45 -63.22 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.28 -44.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 83.7 t80 -52.25 -59.46 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 9.7 ptpt -62.02 -33.27 74.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 31.3 mtpt -59.03 -58.52 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' LYS . 54.1 mtm -35.58 -40.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 53.36 38.43 27.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.935 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 63' ' ' MET . 8.0 m-20 -127.14 132.42 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -66.48 -59.36 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.0 m -51.06 -63.13 1.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -49.78 -40.62 42.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 5.2 mtt -63.95 -48.12 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -42.22 -38.09 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -81.48 -68.7 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -39.17 -37.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.9 -68.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -62.7 -35.6 80.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -52.41 -62.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.1 mt -59.67 -44.8 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.3 t80 -54.57 -45.6 73.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mmm -75.65 2.83 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.427 HG23 ' CZ ' ' A' ' 74' ' ' PHE . 25.5 m -92.27 -59.56 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -118.04 -28.98 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 mt -80.61 18.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -109.3 161.17 15.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.2 t -73.27 -45.24 56.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -82.88 17.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 73' ' ' THR . . . -63.86 112.75 3.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -59.12 -30.2 67.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.449 ' C ' ' OE2' ' A' ' 43' ' ' GLU . 2.2 m -128.05 101.99 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -105.45 115.23 29.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.8 m -55.72 165.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -97.07 128.68 44.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.462 ' CG1' HD12 ' A' ' 111' ' ' ILE . 17.0 m -156.58 173.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -75.1 -45.74 39.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.95 68.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.465 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 10.7 pt20 -90.19 17.57 6.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.8 m -80.37 -8.47 59.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -48.81 -31.33 6.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 91' ' ' LEU . 3.6 pp -68.07 171.33 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' LYS . 2.3 t-20 -167.78 167.74 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -37.7 -26.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 92' ' ' ASN . 48.1 mmtt -65.29 -46.39 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 96' ' ' LEU . 8.4 tt -45.12 -23.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.506 ' N ' HG22 ' A' ' 95' ' ' ILE . 34.0 mt -78.51 -35.08 46.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' LEU . 13.9 mt-10 -33.38 -67.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -106.91 102.03 40.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.727 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 130.12 18.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 0.0 112.299 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.505 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -153.52 148.55 19.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.576 0.703 . . . . 0.0 110.851 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 18.85 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.5 mt -113.91 -17.78 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.475 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 8.3 ptm -65.43 -38.17 89.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 105' ' ' GLN . 25.2 m-85 -100.55 -37.63 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 104' ' ' PHE . 2.2 tp-100 -32.0 -48.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -72.22 -53.61 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 88' ' ' GLN . 50.8 mt -50.23 -31.63 14.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.47 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 30.3 tt0 -75.91 -34.46 59.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.38 -56.71 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -55.3 -56.57 18.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.462 HD12 ' CG1' ' A' ' 85' ' ' VAL . 27.1 mm -47.37 -41.95 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.564 ' CE2' ' HD2' ' A' ' 116' ' ' LYS . 23.1 t80 -53.51 -52.38 59.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -37.54 87.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 10.8 tp -54.53 -59.84 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 120' ' ' TYR . 49.9 mtm -65.92 -29.51 69.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.838 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.564 ' HD2' ' CE2' ' A' ' 112' ' ' PHE . 3.2 mtpm? -54.37 -35.08 62.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -116.77 -15.57 10.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 29.1 t70 -85.64 -63.58 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 120' ' ' TYR . 14.3 m -95.32 -62.99 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.571 ' CD1' HD12 ' A' ' 19' ' ' LEU . 30.5 t80 -35.6 -65.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 120' ' ' TYR . 1.7 m -37.18 -52.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.418 ' HG2' ' NZ ' ' A' ' 125' ' ' LYS . 33.5 mtm180 -65.47 -52.14 55.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 122' ' ' ARG . 68.6 t80 -38.19 -44.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' A' ' 16' ' ' ALA . 87.8 mt -62.9 -53.56 52.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.418 ' NZ ' ' HG2' ' A' ' 122' ' ' ARG . 10.5 pttm -81.58 15.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.2 m -100.75 154.36 18.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -60.29 -45.6 92.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.2 tp -40.15 -40.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -93.14 -56.16 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 131' ' ' LYS . 29.4 mt -43.93 -57.87 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 130' ' ' LEU . 17.4 mmtp -34.11 -54.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -66.14 -43.58 86.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 130' ' ' LEU . 40.3 tttp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.787 0.327 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 p -57.39 -47.71 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 p -43.24 -54.34 4.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.81 -42.09 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -63.92 -58.24 7.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -53.04 -52.34 58.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.32 77.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.49 -51.05 21.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.8 m -159.64 152.37 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.451 HD23 ' CE1' ' A' ' 112' ' ' PHE . 20.7 tp -57.92 -44.53 86.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -45.71 -59.05 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 58.3 m-20 -40.58 -34.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.407 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 6.5 tp -72.48 -44.49 62.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.65 -46.57 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -60.86 -46.15 91.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.494 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 43.0 m-20 -72.44 143.34 85.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -50.4 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -50.76 -41.72 56.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.16 -63.89 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -38.25 -52.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.474 ' N ' ' HE3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -53.69 -56.92 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' PHE . 20.3 mmt-85 -59.83 -64.39 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' A' ' 36' ' ' LEU . 8.8 t80 -37.86 -54.79 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' GLU . 35.3 mtt180 -45.64 -66.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' ARG . 1.6 mm-40 -34.25 -58.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.588 ' CZ ' ' OE2' ' A' ' 39' ' ' GLU . 2.1 t80 -54.99 -45.08 74.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 35' ' ' PHE . 84.0 mt -62.21 -60.05 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.3 ttmm -36.02 -52.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -46.67 -60.13 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.588 ' OE2' ' CZ ' ' A' ' 35' ' ' PHE . 9.3 pt-20 -75.41 6.5 4.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 63.14 41.6 7.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -111.96 -7.08 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.75 -50.76 65.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 14.8 pm0 -40.34 -29.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -60.62 -60.17 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.427 HG13 ' CD1' ' A' ' 36' ' ' LEU . 22.3 m -63.14 -35.15 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 84.6 mt -51.82 -40.65 60.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.534 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 23.1 t80 -79.88 -49.82 11.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.481 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 44.6 t90 -52.16 -40.5 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.36 -51.54 59.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.68 -27.75 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.0 m -66.7 -66.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.12 -24.75 11.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -81.41 -33.74 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -68.89 -24.06 64.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 3.6 ptpp? -95.57 -30.96 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 57' ' ' MET . 7.5 ptpt -59.28 -33.07 70.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.488 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 31.2 mtm -61.2 146.13 48.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -97.24 -47.95 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -56.6 140.69 45.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -82.91 -48.42 10.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.0 m -46.59 -56.2 6.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -50.25 -36.23 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.8 mtp -70.76 -41.95 71.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -46.95 -42.07 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -78.77 -60.19 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -48.41 -28.48 3.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.5 -66.69 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -65.37 -34.28 77.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -48.03 -66.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.4 mt -55.62 -37.04 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.571 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -60.14 -42.84 95.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.402 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 94.2 mmm -74.95 8.05 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.0 m -98.05 -68.46 0.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -111.55 -29.73 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' A' ' 104' ' ' PHE . 19.8 mt -75.37 10.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.402 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.9 OUTLIER -118.63 177.14 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.1 m -91.85 157.44 16.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp 62.07 34.53 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.77 113.39 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.1 m -62.97 -38.61 91.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.2 p -87.01 17.05 4.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.01 122.43 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.49 173.91 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -104.87 117.23 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.7 m -151.14 146.93 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -41.86 -58.22 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.95 110.51 1.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.65 167.06 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.4 m 63.29 32.05 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 mmm-85 -88.88 -32.01 17.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 91' ' ' LEU . 1.3 pt? -71.72 125.34 26.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.461 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 62.4 m-80 -73.7 169.32 17.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.86 -29.68 70.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -35.5 53.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 4.4 tt -49.22 -21.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.406 HD23 ' CG ' ' A' ' 71' ' ' TYR . 57.9 mt -75.47 -33.18 60.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -41.75 -64.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 9.9 pt-20 -105.16 102.02 33.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.646 0.736 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.0 Cg_endo -69.76 133.23 25.07 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.78 151.67 21.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 6.58 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 7.5 mt -110.39 17.97 20.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.574 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 11.4 ptm -93.29 -43.65 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 6.2 m-85 -100.28 -37.59 8.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 104' ' ' PHE . 4.2 tt0 -34.28 -48.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -44.43 -61.52 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.42 -40.5 91.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.481 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 37.9 tt0 -51.08 -19.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.96 -59.85 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -60.59 -37.45 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.9 mm -63.37 -37.13 78.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.451 ' CE1' HD23 ' A' ' 19' ' ' LEU . 20.7 t80 -55.69 -62.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -64.68 -36.0 82.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 tp -41.67 -64.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 120' ' ' TYR . 36.4 mtm -69.85 -24.23 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -56.64 -30.71 63.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -115.82 -14.14 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -93.71 -56.76 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 120' ' ' TYR . 31.8 m -95.41 -67.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 123' ' ' PHE . 68.4 t80 -36.24 -67.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.9 t -39.51 -35.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.442 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 13.8 ttm180 -84.4 -33.42 23.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 120' ' ' TYR . 52.5 t80 -53.18 -52.12 59.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.9 mt -49.94 -35.9 25.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -76.06 -37.99 57.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.6 m -54.65 168.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -80.3 -44.66 19.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 127' ' ' ASP . 9.4 tp -33.6 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 127' ' ' ASP . 50.0 t80 -91.03 -67.9 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 131' ' ' LYS . 91.5 mt -36.14 -45.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -34.16 -59.7 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -66.8 -46.93 73.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.4 tttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.9 p -97.77 -40.96 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -52.14 -50.93 60.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.6 -41.6 42.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -64.01 -51.93 61.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.543 ' CZ2' ' HA2' ' A' ' 28' ' ' GLY . 20.1 m0 -57.83 -55.82 29.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.87 -38.09 61.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.9 38.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.9 p -157.92 140.4 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 25.4 tp -48.49 -46.15 37.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -44.2 -52.85 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.487 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 92.3 m-20 -49.04 -36.06 17.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.2 tp -70.67 -36.99 73.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.48 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 32.5 mt -73.56 -45.41 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 3.0 pp20? -63.6 -45.44 90.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -66.75 130.61 94.01 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.0 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.72 -35.04 73.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.543 ' HA2' ' CZ2' ' A' ' 15' ' ' TRP . . . -69.51 -54.33 13.28 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.2 t -44.41 -42.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -46.25 -60.13 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 32' ' ' PHE . 2.9 mpt_? -55.4 -60.0 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CD1' HD21 ' A' ' 22' ' ' LEU . 3.2 t80 -36.48 -62.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -45.97 -50.45 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -54.78 -54.32 43.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -55.01 -43.64 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' LYS . 81.2 mt -61.77 -57.46 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -35.23 -37.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -43.68 -52.64 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -102.31 17.98 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 59.71 44.92 13.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 10.6 p -107.39 -12.48 15.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 43' ' ' GLU . 27.1 tt0 -39.58 -60.07 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' GLU . 6.1 tp10 -34.77 -37.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 41' ' ' SER . 10.3 m-20 -43.47 -49.18 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.421 HG22 ' N ' ' A' ' 46' ' ' LEU . 27.6 m -75.29 -30.7 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' N ' HG22 ' A' ' 45' ' ' VAL . 31.1 mt -58.69 -36.99 75.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.549 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 23.5 t80 -83.32 -38.91 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.48 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 63.7 t90 -63.23 -52.98 60.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.39 -46.01 69.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.95 -48.1 61.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.8 m -49.85 -50.98 43.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 6.0 tm-20 -59.4 -62.61 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -48.96 -34.68 13.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CZ ' ' HE3' ' A' ' 63' ' ' MET . 75.9 t80 -62.67 -60.2 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 13.1 ptpt -53.77 -33.29 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 53.2 mtpt -56.45 -42.74 78.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.6 mtm -56.84 133.02 54.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -96.26 -43.37 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -53.39 127.73 25.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -67.05 -54.15 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 m -48.73 -61.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -45.37 -38.62 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.418 ' HE3' ' CZ ' ' A' ' 54' ' ' PHE . 54.5 mtp -66.89 -44.33 81.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -43.54 -49.39 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' HA ' ' CE ' ' A' ' 68' ' ' LYS . 15.6 mt-10 -64.97 -66.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -45.22 -26.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.9 -69.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.8 -30.79 71.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.423 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 10.3 mt-10 -50.35 -57.53 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.0 mt -71.65 -41.36 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.57 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -57.96 -31.15 66.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mmt -84.64 -6.29 59.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.8 m -91.62 -68.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -97.99 -66.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 34.0 mt -34.73 -45.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 t -52.41 123.18 10.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -57.93 -26.56 62.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -80.15 13.99 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.34 141.91 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.4 t -93.61 -38.96 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 m -82.27 17.34 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -51.96 118.84 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -57.11 156.62 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -71.51 115.04 10.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.424 HG21 ' NE2' ' A' ' 88' ' ' GLN . 9.6 m -151.35 143.61 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -46.23 -48.94 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.45 79.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 90' ' ' ARG . 3.8 pt20 -81.45 -41.77 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 88' ' ' GLN . 30.9 t -40.24 -24.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 88' ' ' GLN . 18.8 ttt180 -38.57 -32.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.0 159.39 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.533 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 82.6 m-20 -113.82 -179.05 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -86.24 -20.48 28.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -57.19 -37.79 72.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.533 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 0.7 OUTLIER -51.89 -40.73 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLU . 65.0 mt -51.21 -43.82 61.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' LEU . 27.8 mt-10 -34.55 -65.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.01 102.89 45.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 140.71 43.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.322 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.529 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.84 148.49 17.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 110.878 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 13.99 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.37 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.466 ' H ' ' C ' ' A' ' 100' ' ' HIS . 8.7 mt -110.74 -12.68 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.596 ' HE2' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 ptm -62.83 -51.34 67.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.596 ' CZ ' ' HE2' ' A' ' 103' ' ' MET . 2.4 m-85 -102.89 17.74 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -71.48 -47.09 57.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -72.8 -54.96 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.1 mt -48.06 -35.31 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.465 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 52.5 tt0 -68.36 -35.58 77.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -63.03 -62.77 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -46.0 -47.36 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.0 -38.95 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -49.32 -57.5 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 114' ' ' LEU . 18.5 m-80 -65.25 -46.97 78.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 12.6 tp -35.35 -58.89 0.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 120' ' ' TYR . 51.6 mtm -73.48 -29.19 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 113' ' ' ASN . 28.7 tttm -52.58 -31.54 36.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -117.44 -24.72 7.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 26.1 t0 -79.83 -57.42 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 120' ' ' TYR . 19.5 m -96.39 -67.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 115' ' ' MET . 37.8 t80 -32.92 -50.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.4 t -54.97 -57.01 13.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 123' ' ' PHE . 43.4 mmm-85 -60.52 -54.05 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' A' ' 122' ' ' ARG . 22.0 t80 -32.54 -61.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.54 HD22 ' CE2' ' A' ' 129' ' ' PHE . 47.2 mt -44.41 -56.07 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -43.92 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.1 t -54.9 150.82 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -58.53 -44.26 89.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 127' ' ' ASP . 63.2 tp -34.97 -33.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.54 ' CE2' HD22 ' A' ' 124' ' ' LEU . 60.9 t80 -96.34 -59.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 131' ' ' LYS . 56.1 mt -45.89 -53.1 10.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 130' ' ' LEU . 13.1 mmmt -34.32 -61.22 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -62.48 -40.57 97.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 47.9 tttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 13' ' ' ALA . 4.5 m -85.63 -57.81 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.9 p -38.83 -25.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' SER . . . -63.65 -66.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.598 ' HG3' ' CD1' ' A' ' 15' ' ' TRP . 4.6 pttm -48.98 -34.64 13.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.598 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 10.2 m0 -76.43 -40.97 49.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.12 -36.91 81.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.69 -60.38 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.9 m -151.99 171.07 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 112' ' ' PHE . 24.1 tp -73.54 -38.51 65.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.26 -45.61 45.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 28.6 m-20 -64.76 -21.99 66.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.53 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 5.5 tp -85.57 -47.08 10.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.412 HD12 ' CZ2' ' A' ' 48' ' ' TRP . 44.8 mt -67.25 -40.35 86.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 25' ' ' ASP . 12.5 pt-20 -60.62 -45.78 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 7.1 m-20 -81.83 143.43 50.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.722 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.258 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -56.06 -36.32 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.45 ' CA ' HD13 ' A' ' 22' ' ' LEU . . . -67.21 -52.31 32.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -48.56 -51.11 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -53.86 -55.3 27.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HA ' ' CD ' ' A' ' 34' ' ' GLU . 27.5 mmm-85 -60.74 -12.25 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CD1' ' CD2' ' A' ' 22' ' ' LEU . 37.5 t80 -87.87 -35.27 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' GLU . 54.0 mtp180 -72.43 -43.91 63.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 1.9 pt-20 -37.39 -51.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -69.07 -54.23 16.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.1 mt -43.13 -49.27 6.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -49.62 -39.63 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -48.43 -51.9 24.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -95.53 13.71 25.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 55.64 42.51 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -109.9 10.13 24.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -55.42 -31.96 62.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -58.37 -17.57 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -61.24 -65.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.54 -35.97 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.0 mt -48.86 -40.26 28.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.55 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 6.5 t80 -79.25 -37.39 38.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.412 ' CZ2' HD12 ' A' ' 23' ' ' LEU . 87.4 t90 -61.12 -52.81 63.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 31.1 mt -49.8 -56.49 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -36.1 -55.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 58.1 m -46.07 -67.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.479 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 8.9 mm-40 -44.88 -35.66 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.17 -35.08 61.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.468 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 35.1 t80 -65.44 -49.76 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 52' ' ' GLU . 1.4 ptmm? -63.02 -31.66 72.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -60.45 -37.9 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.9 mtm -66.82 134.01 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -97.4 -47.03 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -53.27 137.96 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 63' ' ' MET . 47.1 tttt -74.51 -60.17 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.6 m -36.49 -57.46 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -52.59 -41.76 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.468 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 4.5 mtt -66.57 -47.8 71.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -39.42 -41.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -75.47 -67.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HG3' ' CD1' ' A' ' 70' ' ' ILE . 32.7 tptt -40.55 -34.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.47 -67.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -67.28 -31.89 72.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -53.1 -53.92 43.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.406 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 48.1 mt -69.94 -37.24 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.591 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 2.5 t80 -64.03 -19.16 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.8 mmt -101.23 9.08 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.695 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 44.3 m -97.98 -61.49 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.695 ' CE1' ' CG2' ' A' ' 73' ' ' THR . 3.2 m-85 -117.82 -37.97 3.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.511 ' CD2' ' CD1' ' A' ' 107' ' ' LEU . 45.8 mt -57.89 -42.19 84.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.482 ' HG ' ' N ' ' A' ' 77' ' ' SER . 12.8 t -58.09 158.31 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.482 ' N ' ' HG ' ' A' ' 76' ' ' SER . 68.4 m -77.78 -44.83 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -72.37 2.42 6.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.69 121.34 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m -54.57 -26.14 30.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -136.46 102.16 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.46 ' OE1' ' CD ' ' A' ' 88' ' ' GLN . 9.1 tt0 -107.88 109.36 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.8 m -56.57 177.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -113.48 138.4 50.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.2 m -157.94 139.71 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -44.69 -33.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.11 71.43 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.46 ' CD ' ' OE1' ' A' ' 82' ' ' GLN . 12.3 tm0? -91.1 159.73 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.6 m 60.68 46.09 9.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -111.66 -29.51 7.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.5 mt -75.83 155.14 35.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 94' ' ' LYS . 56.9 m-20 -138.16 154.54 49.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -43.3 -23.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 92' ' ' ASN . 2.9 mppt? -63.6 -43.19 97.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 96' ' ' LEU . 11.1 tt -45.71 -23.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' N ' HG23 ' A' ' 95' ' ' ILE . 47.9 mt -72.42 -37.28 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 96' ' ' LEU . 17.3 mt-10 -34.25 -49.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -121.41 102.02 43.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 123.81 10.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.369 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.576 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -151.39 150.06 25.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.547 0.689 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 9.9 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 2.1 mt -107.63 -13.52 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.576 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 8.2 ptm -60.92 -38.9 87.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 103' ' ' MET . 6.0 m-85 -102.87 -33.31 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 104' ' ' PHE . 32.5 tp60 -32.11 -53.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 -59.74 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.511 ' CD1' ' CD2' ' A' ' 75' ' ' LEU . 14.2 mt -57.3 -42.77 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -46.94 -64.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -38.52 -55.61 1.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -48.82 -60.5 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.8 -42.72 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -44.46 -61.56 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -66.07 -44.36 84.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 10.4 tp -38.38 -59.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' TYR . 30.9 mtm -68.37 -34.78 76.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -55.09 -29.47 57.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -114.68 -16.17 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 35.1 t0 -93.37 -61.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' TYR . 44.6 t -89.84 -67.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' SER . 50.7 t80 -33.69 -55.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.5 t -52.33 -62.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 123' ' ' PHE . 62.9 mtp85 -56.89 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' A' ' 122' ' ' ARG . 6.5 t80 -33.59 -59.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.0 mt -44.78 -63.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.68 -43.11 65.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -55.21 143.1 28.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.7 p-10 -48.14 -39.49 20.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 127' ' ' ASP . 15.6 tp -34.14 -46.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -93.77 -51.89 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.6 -59.79 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -47.07 -60.51 2.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -51.34 -43.9 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 84.3 tttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mptt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.4 m -90.54 -57.05 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.7 p -38.73 -52.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.48 -43.8 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -58.99 -51.63 69.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.428 ' CG ' HD11 ' A' ' 22' ' ' LEU . 12.0 m0 -59.39 -46.2 89.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.15 94.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.74 -57.91 7.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LEU . 4.7 t -155.72 134.57 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 120' ' ' TYR . 46.6 tp -37.44 -53.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -36.0 -62.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.489 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 6.6 m-20 -39.15 -39.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 HD11 ' CG ' ' A' ' 15' ' ' TRP . 5.3 tp -69.7 -38.02 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 20' ' ' GLU . 50.2 mt -72.95 -45.9 55.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 2.9 pp20? -63.74 -40.08 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 3.2 t70 -77.28 141.2 66.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.0 Cg_endo -69.73 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.236 . . . . 0.0 112.391 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -51.36 -42.9 61.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.8 -59.67 8.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -42.67 -45.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -53.43 -54.73 32.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -63.68 -47.81 79.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' ARG . 2.9 t80 -50.42 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HB3' ' CD ' ' A' ' 42' ' ' GLU . 33.7 mtp180 -38.01 -57.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -44.75 -51.88 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -51.94 -53.31 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.401 HD13 ' OD1' ' A' ' 44' ' ' ASN . 83.6 mt -57.21 -48.04 79.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -42.99 -38.23 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -39.92 15.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -111.18 9.33 21.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 62.88 44.16 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.476 ' OG ' ' ND2' ' A' ' 44' ' ' ASN . 6.7 t -117.96 17.94 14.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.838 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 33' ' ' ARG . 38.3 tt0 -71.71 3.42 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -82.05 -45.62 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.476 ' ND2' ' OG ' ' A' ' 41' ' ' SER . 13.4 p30 -46.18 -40.81 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.459 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 14.5 m -76.31 -30.99 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.0 mt -65.8 -40.0 91.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -79.81 -40.43 28.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.477 ' NE1' ' HG2' ' A' ' 108' ' ' GLN . 79.3 t90 -56.64 -55.23 36.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.2 mt -54.75 -53.43 55.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' ASP . . . -38.84 -53.22 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 69.5 m -39.49 -61.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 71.3 mm-40 -50.87 -33.04 22.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 56' ' ' LYS . 2.2 m-20 -73.87 -58.69 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CZ ' ' HE3' ' A' ' 63' ' ' MET . 82.4 t80 -40.45 -33.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 14.6 ptpt -84.05 -31.04 25.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.8 ptpp? -66.06 -34.02 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.485 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 75.4 mtm -54.33 -42.25 69.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 52.92 37.29 24.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' MET . 1.2 m-20 -130.56 137.52 49.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -74.22 -54.93 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.8 m -55.16 -55.37 31.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -57.6 -46.62 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.547 ' HE3' ' CZ ' ' A' ' 54' ' ' PHE . 78.7 mtp -59.73 -44.38 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -44.76 -40.93 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' LYS . 24.4 mt-10 -78.81 -69.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' GLU . 14.8 tptt -37.48 -42.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.62 -67.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -56.2 -32.21 64.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.56 -61.76 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -55.95 -43.42 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 5.2 t80 -63.17 -58.59 6.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.2 mtp -59.29 -12.7 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.455 HG21 ' CZ ' ' A' ' 74' ' ' PHE . 58.5 m -84.16 -70.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -98.01 -68.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.578 HD12 ' CE1' ' A' ' 104' ' ' PHE . 31.2 mt -33.9 -34.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' PHE . 2.6 t -58.31 137.92 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.3 t -71.16 -34.37 70.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -76.11 8.7 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 73' ' ' THR . . . -88.42 128.98 35.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.3 m -75.41 -37.25 60.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 m -84.69 18.03 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -52.03 117.49 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.0 m -57.76 143.12 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -73.41 109.51 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.421 HG23 ' CD ' ' A' ' 88' ' ' GLN . 21.5 m -144.36 126.9 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.68 133.25 55.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.04 -90.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.421 ' CD ' HG23 ' A' ' 85' ' ' VAL . 12.4 tt0 55.29 47.88 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.965 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.6 p -113.97 14.81 18.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -88.5 15.54 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.1 pt? -137.64 157.85 45.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 95' ' ' ILE . 7.2 m120 -167.67 167.96 12.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 45.7 mt-10 -34.12 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 92' ' ' ASN . 17.1 mmtp -57.28 -48.01 79.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 96' ' ' LEU . 16.0 tt -42.86 -23.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.477 ' N ' HG23 ' A' ' 95' ' ' ILE . 40.8 mt -75.32 -38.78 60.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 96' ' ' LEU . 79.3 mt-10 -33.36 -64.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -112.16 102.0 53.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.609 0.719 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 139.16 39.51 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.734 2.289 . . . . 0.0 112.31 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -157.27 149.62 17.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.824 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 7.8 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.5 mt -112.49 17.92 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.581 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 9.2 ptm -90.92 -43.16 10.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.581 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.5 m-85 -110.89 17.02 20.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.0 -59.16 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -59.15 -53.78 54.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.4 mt -44.75 -37.91 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.477 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 52.8 tt0 -61.23 -35.22 76.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -65.85 -68.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -43.4 -49.86 6.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.62 -42.76 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.7 t80 -49.85 -53.58 24.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.67 -45.46 92.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.2 tp -42.41 -57.8 2.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 17.5 mtm -73.14 -33.72 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.48 ' HE3' ' CE1' ' A' ' 112' ' ' PHE . 28.6 ttmt -55.87 -25.04 40.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -117.95 -26.13 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 25.4 t70 -77.01 -64.32 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 120' ' ' TYR . 11.3 p -94.11 -66.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.566 ' CD1' HD11 ' A' ' 19' ' ' LEU . 42.9 t80 -32.02 -67.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 120' ' ' TYR . 19.7 t -35.57 -61.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 123' ' ' PHE . 24.6 mmm180 -59.49 -54.62 44.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 129' ' ' PHE . 52.2 t80 -32.11 -63.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.9 mt -38.86 -48.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -72.02 -42.06 66.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.7 t -54.91 148.97 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 128' ' ' LEU . 2.1 p-10 -58.74 -43.23 90.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.3 tp -32.14 -44.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.567 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . 31.0 t80 -83.5 -62.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 131' ' ' LYS . 91.1 mt -45.67 -60.56 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' LEU . 32.2 tptt -33.82 -54.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -48.04 -52.98 17.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 129' ' ' PHE . 35.6 mtpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.771 0.32 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 14' ' ' LYS . 4.3 m -71.84 -45.95 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.453 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 17.9 p -37.81 -46.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.4 -43.02 61.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' SER . 1.1 mptp? -61.71 -45.25 94.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.453 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 8.5 m0 -66.4 -42.77 87.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.35 97.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.17 -54.11 28.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.8 m -161.55 156.18 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.9 -44.3 97.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -43.73 -41.82 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.464 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 72.3 m-20 -67.44 -34.71 77.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 tp -74.55 -38.44 62.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 mt -75.04 -43.14 55.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -63.72 -43.0 97.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -74.76 148.71 85.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.709 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -50.66 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.27 -46.65 76.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.49 -53.74 39.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.4 t -55.47 -44.39 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -54.08 -56.85 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -61.54 -53.73 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -46.89 -52.57 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -52.34 -53.15 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -47.15 -50.81 19.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.54 -52.92 62.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 37' ' ' LYS . 61.9 mt -54.34 -52.75 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 36' ' ' LEU . 8.7 ttpt -34.75 -45.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -42.71 -59.64 1.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -91.21 12.87 18.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 59.98 47.37 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.404 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.6 p -112.65 17.85 18.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -64.2 -53.86 42.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 1.1 pm0 -40.53 -32.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 15.0 m-20 -47.73 -59.03 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 46' ' ' LEU . 18.3 m -67.91 -37.68 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.461 ' N ' HG23 ' A' ' 45' ' ' VAL . 64.8 mt -51.17 -46.07 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.413 ' CD1' ' CD2' ' A' ' 74' ' ' PHE . 34.8 t80 -70.53 -43.97 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.519 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 80.6 t90 -57.75 -59.37 5.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 mt -48.08 -55.18 10.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . -42.84 -56.14 3.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 50' ' ' ALA . 95.0 m -36.9 -43.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.36 -49.5 22.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -51.32 -41.87 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.19 -61.32 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -56.8 -31.95 65.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 17.6 mmtt -60.2 -41.91 93.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.4 mtm -58.69 136.87 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -97.13 -44.93 6.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.84 116.72 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -60.65 -50.11 74.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.7 m -44.26 -54.81 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -57.83 -41.63 82.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.5 mtp -59.29 -47.3 85.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -44.36 -50.37 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -66.6 -68.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -41.94 -30.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.72 -68.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -65.55 -34.81 79.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -47.42 -60.93 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.97 -47.54 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 3.0 t80 -51.3 -52.4 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.9 mtp -66.49 -3.82 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.441 HG22 ' CZ ' ' A' ' 74' ' ' PHE . 4.1 m -84.48 -65.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 73' ' ' THR . 1.9 m-85 -114.16 -26.04 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 17.6 mt -81.47 16.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 77' ' ' SER . 1.7 t -106.63 172.05 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.401 ' N ' ' OG ' ' A' ' 76' ' ' SER . 43.6 t -84.5 -45.58 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -83.31 17.16 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.08 113.71 17.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.6 t -77.9 -31.62 51.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.7 p -80.43 13.52 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -51.94 116.2 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.54 170.36 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.465 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 23.3 t30 -88.69 129.83 35.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 84' ' ' ASN . 29.9 m -159.49 177.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.01 -54.68 23.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.45 72.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -54.96 -33.9 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' LEU . 1.6 t -40.25 -30.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -39.66 -28.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 89' ' ' SER . 31.4 mt -73.59 176.09 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -162.15 153.45 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -47.29 -27.62 1.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -59.84 -43.88 94.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 96' ' ' LEU . 10.4 tt -44.81 -24.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 95' ' ' ILE . 27.0 mt -72.01 -38.24 69.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 96' ' ' LEU . 5.4 mm-40 -36.79 -57.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -111.01 101.92 51.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.13 17.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -155.2 149.7 19.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.422 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.4 Cg_endo -69.78 0.7 5.28 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.4 mt -102.66 17.95 22.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.566 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 10.2 ptm -92.1 -47.44 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.5 m-85 -104.76 12.22 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 106' ' ' LYS . 20.2 tm0? -68.98 -68.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.431 ' N ' ' OE1' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -48.55 -50.14 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.65 -33.79 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.519 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 13.9 tt0 -72.64 -28.63 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.19 -50.18 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -66.92 -45.05 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.446 HD11 ' CG1' ' A' ' 85' ' ' VAL . 41.9 mm -61.52 -31.35 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -56.84 -62.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 8.5 p30 -62.81 -41.41 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.485 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 16.8 tp -40.46 -43.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.452 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 29.6 mtm -89.12 -56.77 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -44.55 -26.51 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 3.2 m-85 -75.33 -67.92 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 119' ' ' SER . 5.9 t0 -91.75 -67.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 118' ' ' ASP . 23.0 m -33.33 -68.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.426 ' CE2' HD11 ' A' ' 124' ' ' LEU . 65.4 t80 -49.64 -49.15 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -55.8 -35.28 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.803 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -77.16 -40.65 44.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -50.67 -58.44 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 120' ' ' TYR . 19.7 mt -55.98 -66.45 0.43 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -43.56 -43.97 5.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.2 m -53.62 166.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.9 p30 -70.29 -44.28 68.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.1 tp -34.18 -42.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -83.45 -61.17 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LYS . 76.0 mt -48.39 -59.55 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.9 OUTLIER -33.89 -56.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -68.1 -50.6 53.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 23.4 tttt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.8 mttm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m -79.83 -56.43 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 p -40.18 -41.35 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.93 63.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.067 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -55.87 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.426 ' CG ' HD11 ' A' ' 22' ' ' LEU . 10.2 m0 -56.15 -43.51 78.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.83 94.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.87 67.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 t -159.05 151.79 21.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 22' ' ' LEU . 50.1 tp -60.74 -49.44 77.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -40.13 -53.7 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -51.04 -35.96 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.426 HD11 ' CG ' ' A' ' 15' ' ' TRP . 6.2 tp -72.64 -49.01 34.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.56 -45.02 93.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 12.7 pt-20 -62.46 -44.98 95.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.0 t70 -70.81 140.18 86.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.77 -40.34 5.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -60.77 -44.19 97.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.07 -57.91 16.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -45.44 -46.48 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -54.62 -47.16 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.6 mmt-85 -68.6 -52.77 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -50.35 -57.28 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -42.85 -61.01 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -44.14 -57.51 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -48.78 -56.98 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' LYS . 37.7 mt -49.05 -51.98 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -36.04 -48.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -45.34 -58.77 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -87.63 15.36 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 52.1 47.98 23.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -115.67 18.05 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.64 -54.76 23.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.12 -35.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -47.34 -66.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.448 HG21 ' N ' ' A' ' 46' ' ' LEU . 16.0 m -60.93 -40.97 87.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' N ' HG21 ' A' ' 45' ' ' VAL . 20.0 mt -47.84 -36.76 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -81.82 -44.55 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -55.17 -52.86 61.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.6 mt -49.87 -48.51 51.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.51 -43.04 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.1 m -55.48 -60.15 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -53.62 48.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.59 -37.57 73.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.24 -58.32 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 10.5 ptpt -56.44 -33.93 66.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 17.4 mmtt -57.58 -41.17 80.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 mtm -61.23 134.04 56.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -96.07 -46.83 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -53.4 135.25 39.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -70.6 -58.85 3.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.3 m -38.26 -58.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -52.43 -40.16 61.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.9 mtp -67.84 -40.87 83.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -49.03 -47.31 44.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -67.3 -59.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -46.65 -41.58 14.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.65 -69.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -66.75 -38.94 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -46.32 -55.65 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.5 mt -65.14 -46.28 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.1 t80 -52.04 -47.48 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.5 mmm -72.41 -0.96 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.563 HG22 ' CZ ' ' A' ' 74' ' ' PHE . 9.3 m -86.64 -60.43 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CZ ' HG22 ' A' ' 73' ' ' THR . 0.4 OUTLIER -117.97 -30.25 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' A' ' 91' ' ' LEU . 33.2 mt -79.1 17.61 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 74' ' ' PHE . 1.6 t -103.45 163.96 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.5 p -75.33 -41.84 55.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -91.35 17.91 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.83 105.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 t -51.15 -31.01 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -126.64 102.12 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -107.78 129.23 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.86 176.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 0.5 OUTLIER -101.59 123.19 45.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.471 ' CG1' HD12 ' A' ' 111' ' ' ILE . 17.6 m -151.85 150.09 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -115.51 114.09 24.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.63 43.22 6.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -110.11 -37.45 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.4 p -40.12 -30.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.73 -33.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.477 ' CD1' HD12 ' A' ' 75' ' ' LEU . 1.4 pt? -64.9 165.89 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 94' ' ' LYS . 17.7 m120 -163.39 160.53 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.4 mt-10 -35.79 -31.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -57.94 -45.65 86.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 96' ' ' LEU . 11.8 tt -42.85 -23.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' N ' HG22 ' A' ' 95' ' ' ILE . 26.4 mt -75.17 -38.15 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 96' ' ' LEU . 39.2 mt-10 -32.09 -63.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 27.5 mt-10 -111.1 102.04 51.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.74 130.58 19.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.51 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -153.58 147.65 18.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.903 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 18.78 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.2 mt -114.82 -18.73 11.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.478 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 9.4 ptm -58.3 -46.25 86.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 105' ' ' GLN . 13.2 m-85 -94.16 -36.47 12.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.5 tp-100 -32.02 -50.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -49.01 -50.83 34.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' PHE . 30.4 mt -67.42 -40.23 85.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -47.98 -30.38 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -71.46 -64.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.415 ' HA ' ' ND2' ' A' ' 113' ' ' ASN . 7.4 pt20 -53.91 -41.77 68.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.471 HD12 ' CG1' ' A' ' 85' ' ' VAL . 36.5 mm -65.1 -43.15 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -53.33 -54.8 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 1.9 p30 -66.52 -43.01 86.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 tp -40.93 -47.16 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 39.5 mtm -85.47 -54.92 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -46.17 -24.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 3.6 m-85 -77.99 -63.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 119' ' ' SER . 0.3 OUTLIER -96.49 -68.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -32.17 -69.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -43.42 -64.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.0 m -45.0 -41.91 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 53.4 mmt-85 -68.32 -40.55 81.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -48.94 -53.89 17.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 63.9 mt -57.99 -46.64 84.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -58.71 -43.12 90.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.3 p -54.45 163.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' LEU . 8.8 p-10 -76.62 -42.76 41.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.1 mt -35.2 -44.06 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -80.97 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 131' ' ' LYS . 37.6 mt -38.73 -51.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 130' ' ' LEU . 22.8 tttm -33.78 -58.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -59.78 -48.53 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 42.3 tttt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.735 0.302 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.4 m -78.79 -55.91 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.541 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 44.4 p -44.45 -49.13 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.01 -46.45 16.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -58.16 -50.39 73.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.541 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 7.3 m0 -59.94 -48.91 79.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.41 87.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.99 -58.71 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -153.3 132.9 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.6 tp -38.56 -51.74 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -38.97 -62.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -39.03 -43.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 32' ' ' PHE . 5.5 tp -66.89 -44.45 80.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD11 ' CH2' ' A' ' 48' ' ' TRP . 64.1 mt -64.36 -36.71 85.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.99 -55.02 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.41 141.16 43.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.594 0.711 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -38.85 7.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.6 2.2 . . . . 0.0 112.377 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.18 -41.53 73.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.05 -43.82 98.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.65 -43.74 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -60.09 -45.25 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.6 mmt-85 -68.56 -46.44 69.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.429 ' CD1' HD23 ' A' ' 22' ' ' LEU . 3.5 t80 -48.89 -50.91 32.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -55.24 -46.56 76.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.01 -52.41 25.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -62.45 -42.75 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' LYS . 76.9 mt -58.77 -59.9 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' LEU . 9.1 tmtt? -37.0 -45.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -43.78 -56.37 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.82 15.8 19.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 55.47 40.71 31.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -106.2 17.08 24.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ASN . 45.1 tt0 -57.6 -58.14 9.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 3.7 pt-20 -34.42 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLU . 34.8 m-20 -43.85 -66.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.65 -36.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 82.7 mt -47.87 -39.93 20.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.525 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 16.8 t80 -74.96 -43.74 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.515 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 83.9 t90 -60.78 -57.76 11.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.73 -45.96 58.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.0 -46.76 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.0 m -46.84 -45.02 19.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.16 -34.3 77.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.4 m-20 -71.68 -58.8 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.546 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 26.8 t80 -40.15 -34.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 15.2 ptpt -85.63 -30.67 23.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.508 ' HG3' ' N ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -64.74 -35.83 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.508 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 38.0 mtm -63.06 143.41 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -97.24 -43.48 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -53.94 142.79 23.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -87.93 -39.42 14.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' GLN . 22.0 m -57.84 -65.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -40.42 -39.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.546 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 4.1 mtp -59.93 -43.22 95.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' THR . 55.1 mt-30 -44.28 -42.41 6.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -75.17 -69.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -38.55 -42.88 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . . . -49.34 -69.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -62.16 -34.38 76.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.41 -38.33 77.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.8 mt -81.32 -16.35 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -95.07 -25.7 16.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.0 mtp -91.54 9.34 32.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.561 HG21 ' CE1' ' A' ' 74' ' ' PHE . 7.4 t -117.86 -39.57 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.561 ' CE1' HG21 ' A' ' 73' ' ' THR . 1.9 m-85 -117.96 -37.44 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 91' ' ' LEU . 19.4 mt -88.51 17.81 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -115.0 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.1 p -64.84 155.04 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt 56.24 36.45 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.33 175.11 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.1 m -101.94 -37.69 8.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.8 m -99.34 17.79 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -52.22 106.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -60.71 177.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -102.53 108.46 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' HD12 ' A' ' 111' ' ' ILE . 17.1 m -141.35 134.56 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.41 -66.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.17 -88.97 2.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.451 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 34.4 tt0 53.36 43.18 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.3 m -117.88 -22.92 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -42.2 -31.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' CD1' HD12 ' A' ' 75' ' ' LEU . 2.4 pt? -78.08 165.99 23.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 94' ' ' LYS . 2.3 t-20 -164.5 165.34 21.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.5 mt-10 -33.16 -35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' ASN . 37.0 mtmt -54.63 -49.94 69.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 96' ' ' LEU . 14.9 tt -43.64 -23.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.486 ' N ' HG22 ' A' ' 95' ' ' ILE . 39.2 mt -76.51 -37.8 56.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 96' ' ' LEU . 26.6 mt-10 -34.32 -63.33 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.44 102.11 39.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 130.52 19.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.488 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.4 147.18 15.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.862 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 16.27 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 100' ' ' HIS . 13.3 mt -108.33 -17.43 14.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.539 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 8.6 ptm -65.32 -44.32 88.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.3 m-85 -100.15 17.84 20.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.448 ' C ' ' OE1' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -73.65 -54.26 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt -67.1 -46.38 74.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 88' ' ' GLN . 30.9 mt -47.58 -38.33 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.515 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 18.9 tt0 -60.47 -34.63 74.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.33 -64.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -49.17 -49.38 42.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.422 HD12 ' CG1' ' A' ' 85' ' ' VAL . 28.9 mm -63.73 -42.45 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -46.12 -49.72 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 114' ' ' LEU . 2.4 p-10 -74.28 -45.24 48.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 113' ' ' ASN . 12.1 tp -33.79 -66.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 30.9 mtm -65.46 -37.54 87.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -44.2 -28.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -117.74 -29.7 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -75.62 -61.06 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 120' ' ' TYR . 41.8 t -93.98 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.455 ' C ' ' O ' ' A' ' 119' ' ' SER . 64.2 t80 -33.11 -57.59 0.39 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.5 t -50.6 -53.95 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 124' ' ' LEU . 22.5 mmt85 -61.31 -60.51 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 122' ' ' ARG . 36.7 t80 -34.28 -34.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ARG . 90.5 mt -70.15 -51.64 29.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 122' ' ' ARG . 45.1 pttt -65.69 -37.42 86.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 125' ' ' LYS . 18.6 p -54.8 153.17 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -68.03 -41.72 81.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.0 tt -34.12 -46.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -81.63 -54.6 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 45.4 mt -49.14 -62.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 45.5 mmtt -34.14 -57.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 132' ' ' HIS . 3.0 t60 -57.51 -60.87 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 54.9 tttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.321 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 m -47.35 -48.68 25.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.9 p -50.31 -47.48 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.38 -41.44 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -64.48 -45.52 86.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 22.1 m0 -64.9 -40.75 95.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.0 84.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.79 -45.92 78.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -168.17 162.83 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' LEU . 43.7 tp -65.14 -44.66 87.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -41.76 -43.26 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -62.9 -36.67 84.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.553 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 4.9 tp -73.69 -48.23 33.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.24 -46.82 85.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 16.9 pt-20 -58.88 -43.19 90.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 2.0 m-20 -73.62 142.76 81.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -42.83 3.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.6 -41.57 97.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.473 ' CA ' HD13 ' A' ' 22' ' ' LEU . . . -60.62 -56.47 24.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -46.76 -48.14 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -55.03 -43.26 73.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -69.99 -53.7 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -43.5 -55.25 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' GLU . 47.7 mtp180 -48.4 -62.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' ARG . 21.0 mt-10 -35.17 -49.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.22 -60.16 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' CD1' HG12 ' A' ' 45' ' ' VAL . 54.6 mt -45.6 -50.28 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -41.17 -37.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -42.57 -60.84 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 9.2 pt-20 -92.66 17.98 9.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 58.71 46.13 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.423 ' OG ' ' CG ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -111.07 17.94 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.756 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.76 -35.02 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -55.41 -38.63 69.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -42.95 -58.3 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 36' ' ' LEU . 12.4 m -65.63 -40.23 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.441 ' N ' HG23 ' A' ' 45' ' ' VAL . 79.3 mt -47.16 -37.83 10.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -81.09 -41.43 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -58.15 -32.36 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mt -82.19 -39.29 23.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.07 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.0 p -55.16 -40.93 71.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.43 -57.52 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 3.4 m-20 -50.55 -35.64 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.445 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 81.6 t80 -62.0 -57.06 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -26.4 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.446 ' NZ ' ' OD1' ' A' ' 53' ' ' ASP . 22.9 mtmm -65.83 -48.13 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.0 ptp -64.78 135.6 55.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -93.15 -36.57 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -52.1 121.47 6.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -68.2 -55.96 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' LYS . 43.2 m -36.62 -54.46 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -62.78 -38.85 92.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.445 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 40.2 mtp -61.09 -47.71 85.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -49.69 -40.49 40.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -73.32 -67.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -45.92 -35.57 4.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.17 -69.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -62.78 -38.11 89.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -47.2 -60.77 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.403 ' O ' ' HB ' ' A' ' 73' ' ' THR . 20.0 mt -57.09 -41.58 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.516 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.9 t80 -59.08 -47.2 86.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.452 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 94.9 mmm -66.04 -5.01 8.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 70' ' ' ILE . 27.4 m -87.12 -68.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 76' ' ' SER . 3.5 m-85 -106.44 -34.5 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.576 HD12 ' CE1' ' A' ' 104' ' ' PHE . 18.9 mt -73.97 17.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -125.16 165.35 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.5 p -81.45 155.51 25.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 mptt 62.3 36.78 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.77 108.89 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.1 t -63.27 -43.95 96.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.6 m -80.5 13.6 2.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -52.85 125.33 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.04 168.62 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -98.74 105.82 18.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.473 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 34.3 m -140.21 170.38 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -127.52 110.55 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.94 45.57 2.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HG2' ' CG2' ' A' ' 85' ' ' VAL . 5.0 pp0? -112.23 -30.82 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.944 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.7 p -52.48 -30.74 31.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -50.5 -27.58 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.21 156.74 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -151.9 154.72 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -43.05 -30.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -52.2 -44.01 64.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 96' ' ' LEU . 11.6 tt -47.18 -24.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.452 ' N ' HG21 ' A' ' 95' ' ' ILE . 33.6 mt -74.29 -34.41 63.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.1 mt-10 -34.66 -61.97 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -116.3 102.06 53.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.2 22.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.328 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.19 152.69 28.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.533 0.683 . . . . 0.0 110.881 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 6.22 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.519 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 7.1 mt -111.64 17.97 19.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.583 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 9.4 ptm -91.35 -44.34 9.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.576 ' CE1' HD12 ' A' ' 75' ' ' LEU . 4.1 m-85 -111.12 17.95 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.89 -52.11 22.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -58.44 -55.74 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.7 mt -47.67 -40.07 18.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.52 -30.76 65.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.91 -65.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.444 ' NE2' ' HB ' ' A' ' 85' ' ' VAL . 25.5 pt20 -55.65 -43.54 76.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.466 HD12 ' CG1' ' A' ' 85' ' ' VAL . 33.5 mm -63.56 -38.21 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.7 -61.68 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -62.92 -40.74 98.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.3 tp -41.09 -55.47 2.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 117' ' ' TYR . 39.7 mtm -77.84 -48.26 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.426 ' HG3' ' CB ' ' A' ' 19' ' ' LEU . 28.0 ttpt -44.71 -21.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' MET . 59.7 m-85 -115.65 -35.62 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.78 -70.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 122' ' ' ARG . 48.9 m -66.62 -67.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 119' ' ' SER . 88.4 t80 -32.44 -63.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.7 p -42.52 -41.76 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 119' ' ' SER . 32.6 mtp85 -74.72 -50.87 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -38.38 -59.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 129' ' ' PHE . 80.1 mt -52.53 -40.34 62.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.64 -45.76 85.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.5 p -60.33 160.97 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.1 p30 -70.63 -38.64 73.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 127' ' ' ASP . 11.8 tp -32.76 -41.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.555 ' CZ ' ' HD2' ' A' ' 133' ' ' LYS . 35.4 t80 -88.82 -62.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 75.2 mt -43.73 -56.29 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -38.99 -52.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -52.77 -53.22 51.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.555 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 20.6 mtpt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -83.43 -45.73 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -54.36 -54.27 42.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.71 -46.82 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -58.58 -53.62 56.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.41 ' CD1' ' OD2' ' A' ' 25' ' ' ASP . 7.7 m0 -57.84 -42.86 85.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.56 90.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.44 -61.97 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.4 p -154.81 140.49 18.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 tp -44.03 -44.76 7.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -40.15 -59.13 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 18.0 m-20 -47.46 -55.51 8.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tp -52.71 -27.2 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.527 HD12 ' CH2' ' A' ' 48' ' ' TRP . 80.3 mt -83.78 -44.08 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 2.6 pt-20 -61.36 -34.78 75.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD2' ' CD1' ' A' ' 15' ' ' TRP . 1.8 p30 -87.25 127.72 58.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.14 28.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 28' ' ' GLY . 22.7 pm0 -78.22 -25.73 47.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -80.69 -43.99 8.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -52.85 -49.56 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -44.21 -53.43 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -61.64 -44.93 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -54.18 -55.08 31.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -50.61 -58.43 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -38.37 -47.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.23 -54.85 42.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 mt -52.11 -49.56 63.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -39.79 -39.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -40.49 -49.79 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 6.3 pt-20 -107.45 10.82 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 62.1 47.3 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.43 ' OG ' ' CG ' ' A' ' 39' ' ' GLU . 1.1 p -112.09 13.6 20.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ASN . 37.1 tt0 -59.04 -44.54 91.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 pm0 -38.65 -27.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLU . 97.6 m-20 -56.97 -57.99 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -69.84 -28.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.09 -41.22 92.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.523 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 7.5 t80 -75.67 -39.17 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.527 ' CH2' HD12 ' A' ' 23' ' ' LEU . 90.9 t90 -57.06 -58.43 8.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.8 mt -50.02 -47.98 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.25 -56.45 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 61.8 m -41.25 -61.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 24.2 mm-40 -53.94 -62.23 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -42.04 -40.07 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 21.7 t80 -56.0 -58.46 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -58.92 -18.15 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' MET . 48.9 mtpt -83.57 -34.22 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.457 ' CE ' ' HG2' ' A' ' 66' ' ' LYS . 6.0 mmt -36.94 -45.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 57.96 41.83 23.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' MET . 11.2 m-20 -153.36 150.8 29.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -85.02 -62.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.5 m -48.06 -60.69 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -49.61 -44.47 47.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.491 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 6.3 mtt -61.07 -54.67 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' MET . 53.3 mt-30 -35.37 -35.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' MET . 20.4 mt-10 -80.52 -68.67 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HG2' ' CE ' ' A' ' 57' ' ' MET . 30.2 tptt -40.61 -42.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.71 -68.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -62.4 -37.24 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -49.51 -62.09 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.74 -36.72 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.48 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 4.1 t80 -66.59 -24.16 66.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.4 mmm -97.01 8.04 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.565 HG22 ' CZ ' ' A' ' 74' ' ' PHE . 95.4 m -97.91 -59.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CZ ' HG22 ' A' ' 73' ' ' THR . 1.1 m-85 -117.99 -38.56 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.501 HD13 ' CE1' ' A' ' 104' ' ' PHE . 33.5 mt -61.27 -39.29 89.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -52.06 163.93 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 m -78.72 -44.23 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -79.36 16.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.98 110.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.4 m -54.72 -29.94 54.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -131.3 102.01 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -101.13 131.45 47.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.8 m -72.68 167.73 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -99.76 117.32 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.41 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 19.6 m -140.88 176.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -89.41 -49.1 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.19 80.55 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 90' ' ' ARG . 9.3 pt20 -96.42 -39.37 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.461 ' N ' ' HG3' ' A' ' 88' ' ' GLN . 3.1 t -38.25 -26.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 88' ' ' GLN . 6.9 tpp180 -36.76 -32.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 91' ' ' LEU . 3.5 pp -68.96 176.23 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.512 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 6.8 t30 -168.08 158.59 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -40.48 -45.85 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 97' ' ' GLU . 2.9 ttpm? -48.25 -40.11 23.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 9.0 tt -45.04 -24.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 97' ' ' GLU . 59.5 mt -74.76 -36.05 62.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 96' ' ' LEU . 23.0 mt-10 -32.19 -68.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -105.66 101.98 35.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 127.82 15.17 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -150.54 147.52 21.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 18.74 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.262 . . . . 0.0 112.389 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 100' ' ' HIS . 7.3 mt -117.62 -17.25 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.563 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 6.8 ptm -53.87 -38.71 65.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.501 ' CE1' HD13 ' A' ' 75' ' ' LEU . 12.0 m-85 -106.13 -31.96 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 104' ' ' PHE . 22.2 tm0? -32.15 -42.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -67.44 -55.04 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.34 -46.25 80.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -50.99 -34.25 28.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -53.47 -62.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 22.1 pt20 -59.02 -42.51 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 42.7 mm -58.1 -39.14 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -55.21 -63.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 110' ' ' GLN . 7.3 p30 -60.39 -41.48 93.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 12.9 tp -39.43 -59.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 120' ' ' TYR . 43.8 mtm -70.34 -32.99 70.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -53.73 -29.71 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -116.18 -20.49 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 21.8 t70 -85.6 -65.24 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 120' ' ' TYR . 12.6 t -90.3 -65.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 119' ' ' SER . 28.8 t80 -33.08 -66.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 m -40.65 -48.03 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' A' ' 123' ' ' PHE . 81.6 mmt-85 -68.38 -62.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 122' ' ' ARG . 52.0 t80 -32.25 -41.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 122' ' ' ARG . 91.6 mt -62.21 -55.13 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 122' ' ' ARG . 41.1 pttt -62.58 -33.92 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 125' ' ' LYS . 15.0 m -55.99 171.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 128' ' ' LEU . 6.5 p-10 -87.96 -45.79 9.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 127' ' ' ASP . 3.0 tt -33.77 -39.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' LEU . 12.2 t80 -83.13 -66.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' PHE . 60.4 mt -36.65 -44.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -41.37 -54.72 2.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -49.64 -47.09 50.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 mttm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.747 0.308 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 m -68.07 -54.47 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.458 HG21 ' N ' ' A' ' 133' ' ' LYS . 34.3 p -40.34 -38.32 0.79 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.53 76.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -56.56 -41.91 77.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -64.34 -46.2 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.91 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.13 -62.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 m -147.12 152.37 38.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 tp -62.17 -42.77 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -47.58 -47.3 28.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -56.61 -31.84 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 32' ' ' PHE . 5.0 tp -75.15 -52.93 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.67 -43.65 93.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -62.82 -38.28 90.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.63 142.2 61.34 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -56.44 -37.08 69.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.58 -60.34 6.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -40.83 -43.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -61.27 -42.8 99.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -70.71 -44.65 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CZ ' ' OG ' ' A' ' 119' ' ' SER . 2.1 t80 -57.75 -51.78 68.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -48.8 -54.19 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -45.6 -60.54 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -44.45 -49.47 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 37' ' ' LYS . 14.3 mt -59.51 -56.03 27.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' LEU . 3.6 tmtt? -35.41 -43.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -45.22 -58.22 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -90.21 16.38 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 56.24 40.79 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.426 ' HB3' ' ND2' ' A' ' 44' ' ' ASN . 23.8 m -110.45 17.86 20.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 44' ' ' ASN . 48.4 tt0 -59.21 -50.95 72.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 6.6 pm0 -43.27 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 41' ' ' SER . 20.0 m-20 -52.6 -65.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.85 -35.67 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 80.8 mt -49.95 -34.12 19.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.451 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 13.9 t80 -79.91 -45.47 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -59.38 -51.32 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.7 mt -51.2 -54.1 28.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.61 -53.96 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 m -45.25 -56.25 5.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.15 -30.02 58.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 13.9 m-20 -77.72 -41.72 36.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -61.06 -21.76 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.1 ptpt -97.85 -32.99 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 9.2 ptpt -59.11 -35.4 73.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 29.4 mtm -64.05 159.1 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -115.65 -36.88 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.28 125.04 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -71.22 -42.66 68.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.1 m -57.83 -57.43 12.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -48.34 -30.44 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtp -73.22 -45.51 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -42.08 -33.15 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.91 -65.64 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -41.91 -32.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.52 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.485 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.27 -29.28 68.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.485 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 15.7 mt-10 -51.93 -62.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.1 mt -62.05 -37.74 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.5 t80 -60.21 -34.28 73.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.1 mmm -87.42 11.73 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 74' ' ' PHE . 20.6 m -98.0 -68.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CE1' HG22 ' A' ' 73' ' ' THR . 1.9 m-85 -105.62 -45.12 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.488 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 22.0 mt -56.18 -35.67 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.62 168.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -87.19 -40.39 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -82.14 17.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 73' ' ' THR . . . -56.85 107.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.2 p -52.36 -28.98 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -135.08 101.94 5.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -99.7 143.64 29.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.6 m -81.21 165.19 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -83.98 103.4 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.466 ' CG1' ' NE2' ' A' ' 110' ' ' GLN . 2.8 m -144.59 175.29 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -92.53 -37.42 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.78 70.46 0.17 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.425 ' CD ' HG22 ' A' ' 85' ' ' VAL . 4.5 pm0 -79.41 -7.99 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.9 m -82.94 -0.16 47.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -42.15 -38.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -77.95 163.31 26.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.531 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 5.3 t30 -133.66 166.63 22.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -44.87 -36.9 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -50.88 -37.94 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 5.1 tt -52.49 -26.95 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 68' ' ' LYS . 80.9 mt -68.49 -26.31 65.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -42.49 -56.55 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -111.24 103.5 55.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.678 0.752 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 124.44 11.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.47 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -153.38 145.69 17.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 14.62 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.724 2.282 . . . . 0.0 112.322 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 100' ' ' HIS . 7.6 mt -107.8 -20.48 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.468 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 5.6 ptm -54.65 -44.87 73.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 105' ' ' GLN . 8.5 m-85 -93.33 -35.7 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 104' ' ' PHE . 14.9 tt0 -33.66 -51.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -50.09 -60.62 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.24 -43.22 87.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -46.67 -26.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -69.67 -59.45 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.466 ' NE2' ' CG1' ' A' ' 85' ' ' VAL . 11.1 pt20 -57.33 -46.59 83.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.26 -44.98 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -54.23 -46.94 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.59 -36.52 76.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -51.78 -46.69 64.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.0 mtm -82.3 -52.0 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -48.56 -28.34 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -78.47 -63.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 119' ' ' SER . 8.3 m-20 -89.28 -67.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.548 ' OG ' ' CZ ' ' A' ' 32' ' ' PHE . 7.8 t -33.64 -51.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -58.22 -62.63 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.4 m -47.05 -58.61 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -57.57 -41.06 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -52.2 -47.7 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.62 -64.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -44.79 -40.69 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.4 m -54.74 167.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -77.51 -43.65 31.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.1 mt -33.35 -34.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 127' ' ' ASP . 48.0 t80 -89.29 -67.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 129' ' ' PHE . 9.7 mt -37.29 -40.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -61.61 -45.75 92.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 129' ' ' PHE . 1.9 t-160 -65.68 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.458 ' N ' HG21 ' A' ' 12' ' ' THR . 11.4 pttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 4.6 m -93.77 -45.7 7.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.452 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 3.0 p -44.2 -41.66 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.83 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -57.01 -54.38 47.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.468 ' CZ2' ' HB3' ' A' ' 11' ' ' SER . 10.0 m0 -54.61 -47.77 72.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.62 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.7 -46.4 58.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -165.12 152.96 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 120' ' ' TYR . 30.7 tp -58.01 -44.88 87.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -44.13 -42.92 6.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.457 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 53.0 m-20 -64.71 -33.42 75.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.509 HD22 ' CG ' ' A' ' 32' ' ' PHE . 4.4 tp -73.11 -41.72 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.517 HD11 ' CE2' ' A' ' 48' ' ' TRP . 81.8 mt -72.11 -46.34 57.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -60.98 -45.95 92.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 2.3 t70 -71.39 140.48 84.9 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.631 0.729 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.5 Cg_endo -69.67 -50.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -57.4 -41.72 80.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' CA ' HD12 ' A' ' 22' ' ' LEU . . . -59.49 -54.27 39.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.5 t -50.4 -44.48 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -58.59 -55.61 32.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -57.02 -47.91 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 36' ' ' LEU . 24.3 t80 -55.48 -54.72 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -50.63 -45.13 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.52 -44.96 46.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -72.48 -50.35 26.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 32' ' ' PHE . 79.9 mt -40.97 -53.44 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 36.8 tttt -35.41 -38.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -41.16 -66.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.01 17.61 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 58.41 46.37 15.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 p -107.1 16.97 23.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.28 -28.5 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -74.77 -38.55 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' OD1' ' OE2' ' A' ' 43' ' ' GLU . 2.7 m120 -39.28 -53.59 1.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' TRP . 27.4 m -72.93 -43.1 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.431 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 35.7 mt -41.13 -42.99 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -74.62 -34.91 62.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.517 ' CE2' HD11 ' A' ' 23' ' ' LEU . 56.7 t90 -66.59 -42.16 87.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ALA . 18.9 mt -61.66 -56.48 19.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -36.75 -46.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 91.1 m -48.49 -64.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 8.6 mm-40 -45.43 -30.89 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -78.1 -61.73 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -39.68 -32.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -89.29 -29.1 19.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 53' ' ' ASP . 8.2 ptmt -61.49 -40.38 94.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.4 ptp -77.43 146.85 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.27 -36.11 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -52.12 118.73 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' THR . 8.9 ttpp -66.21 -57.33 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' LYS . 18.5 m -36.82 -56.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -52.08 -46.73 65.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' GLN . 53.7 mtp -55.46 -53.18 59.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' MET . 90.6 mt-30 -35.15 -38.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -80.16 -66.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -39.82 -41.17 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.94 -68.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 7.1 ptmt -58.13 -35.28 71.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 4.6 mm-40 -53.84 -66.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.6 mt -52.73 -37.97 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.7 t80 -61.65 -52.01 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.1 mmm -69.72 1.95 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.454 HG21 ' CZ ' ' A' ' 74' ' ' PHE . 62.3 m -95.78 -59.86 1.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.454 ' CZ ' HG21 ' A' ' 73' ' ' THR . 2.0 m-85 -112.18 -31.5 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 71' ' ' TYR . 22.5 mt -79.02 17.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 74' ' ' PHE . 26.0 t -121.13 147.01 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -73.38 149.31 42.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? 61.19 37.41 17.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -82.65 121.83 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ALA . 15.2 t -36.32 -39.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m -138.84 114.08 9.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -113.78 146.91 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.409 HG13 ' CD ' ' A' ' 43' ' ' GLU . 31.1 m -87.85 139.95 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -71.2 120.25 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.488 ' CG1' HD13 ' A' ' 111' ' ' ILE . 6.6 m -149.31 152.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -66.98 -43.69 82.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -127.64 -92.84 0.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.467 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 23.4 tt0 57.57 35.05 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.327 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 91' ' ' LEU . 80.4 p -117.36 -37.69 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -38.18 -31.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 2.5 pp -71.5 165.27 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 95' ' ' ILE . 15.8 t-20 -168.03 169.17 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' ASN . 13.0 mt-10 -32.74 -37.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' ASN . 1.5 mmmp? -54.42 -48.36 71.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 92' ' ' ASN . 13.8 tt -43.87 -22.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.467 ' N ' HG23 ' A' ' 95' ' ' ILE . 36.6 mt -78.15 -36.62 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 22.1 mt-10 -32.59 -65.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -108.84 101.99 46.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.632 0.729 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 127.99 15.37 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.5 OUTLIER -149.56 146.5 20.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.618 0.723 . . . . 0.0 110.803 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 18.14 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.725 2.283 . . . . 0.0 112.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 100' ' ' HIS . 6.0 mt -114.58 -21.15 10.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.516 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 9.2 ptm -52.85 -42.63 65.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 105' ' ' GLN . 16.3 m-85 -99.27 -32.23 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 104' ' ' PHE . 1.1 tm0? -31.97 -44.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -66.81 -55.51 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 88' ' ' GLN . 27.4 mt -53.28 -34.74 58.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.486 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 8.2 tt0 -57.6 -28.68 63.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -67.83 -64.7 0.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.479 ' NE2' HG13 ' A' ' 85' ' ' VAL . 8.8 pt20 -49.0 -43.69 40.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.488 HD13 ' CG1' ' A' ' 85' ' ' VAL . 31.1 mm -62.33 -48.82 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 19' ' ' LEU . 41.2 t80 -48.23 -58.34 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' LEU . 14.5 m-20 -64.19 -47.36 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' ASN . 15.8 tp -36.85 -64.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 120' ' ' TYR . 35.2 mtm -66.6 -34.57 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -46.09 -31.89 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -116.12 -29.26 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -75.37 -59.53 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 120' ' ' TYR . 15.6 m -96.11 -67.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.531 ' CD1' HD12 ' A' ' 19' ' ' LEU . 87.7 t80 -32.34 -64.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 t -40.24 -52.05 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 122' ' ' ARG . 47.9 mtt-85 -65.03 -46.21 82.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -41.54 -66.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.9 mt -44.08 -52.76 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.63 -41.15 76.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.4 t -55.09 147.13 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 128' ' ' LEU . 9.7 m-20 -64.15 -41.57 97.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.1 tt -33.81 -43.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -84.59 -61.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.0 mt -39.75 -60.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -41.91 -58.26 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -57.19 -36.54 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.333 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 -55.89 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 p -48.68 -47.19 41.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.159 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.15 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -57.48 -42.52 82.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -64.79 -51.85 60.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.23 85.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.45 -58.56 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.2 m -155.48 147.77 23.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' GLU . 23.7 tp -51.78 -54.82 24.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' LEU . 35.2 mt-10 -35.0 -66.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' GLU . 46.7 m-20 -36.66 -39.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' LEU . 5.2 tp -68.0 -48.21 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD13 ' CH2' ' A' ' 48' ' ' TRP . 35.6 mt -60.05 -29.86 68.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.5 -51.12 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.08 139.19 87.8 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -31.3 20.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.52 -38.71 59.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.96 -44.84 93.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.83 -45.08 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -55.67 -43.99 76.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -74.2 -42.19 60.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -54.46 -54.63 38.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -46.05 -62.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -39.0 -51.02 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -55.07 -41.22 71.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.0 mt -70.93 -47.05 61.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.17 -44.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -50.2 -61.13 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -78.6 9.33 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 54.34 42.61 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 m -115.45 16.46 16.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 44' ' ' ASN . 32.6 tt0 -53.47 -48.39 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CD ' ' HB3' ' A' ' 81' ' ' SER . 5.9 pt-20 -44.04 -22.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLU . 28.0 m-20 -54.55 -56.02 23.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -72.01 -27.39 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.7 -39.88 95.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.512 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 41.0 t80 -76.67 -40.47 48.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.565 ' CH2' HD13 ' A' ' 23' ' ' LEU . 81.6 t90 -64.07 -44.75 91.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.0 mt -58.5 -56.07 26.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.33 -51.14 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.0 m -45.86 -63.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -50.43 -50.05 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -52.98 -40.83 64.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -57.45 -54.88 41.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.4 ptpt -62.98 -31.55 72.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 25.1 mtmt -59.65 -26.82 65.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.0 mtm -75.18 135.19 41.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -97.0 -40.28 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.89 134.76 55.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -69.23 -59.06 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 m -38.2 -62.57 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -48.31 -37.68 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mtt -72.05 -39.91 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -48.75 -44.43 38.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.55 -61.85 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' ALA . 38.1 tptt -42.18 -49.98 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' LYS . . . -33.25 -68.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -66.61 -33.33 75.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.57 -58.02 6.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.3 mt -63.98 -34.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 2.3 t80 -59.35 -39.5 83.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.471 ' HE3' ' CE1' ' A' ' 71' ' ' TYR . 6.0 mmt -87.6 15.77 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.698 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 57.4 m -98.01 -58.65 1.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.698 ' CE1' ' CG2' ' A' ' 73' ' ' THR . 1.2 m-85 -118.0 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 15.9 mt -64.72 -31.59 72.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.94 169.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.832 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 m -84.21 -45.78 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 13.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 73' ' ' THR . . . -52.14 113.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 t -62.92 -30.29 71.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.409 ' HB3' ' CD ' ' A' ' 43' ' ' GLU . 2.1 m -131.55 102.16 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -100.37 132.69 45.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.2 m -91.98 163.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -82.34 110.29 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.531 ' CG2' ' NE2' ' A' ' 88' ' ' GLN . 4.3 m -118.05 -36.27 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 52.08 47.25 25.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.66 58.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.531 ' NE2' ' CG2' ' A' ' 85' ' ' VAL . 6.1 pm0 -117.91 -30.7 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' ARG . 6.1 m -40.08 -33.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' SER . 26.5 mtt85 -38.07 -32.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.564 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 1.4 pp -70.34 173.71 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.501 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 3.7 t-20 -162.1 160.02 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -45.95 -33.29 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -58.86 -36.93 75.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 2.9 tt -47.02 -23.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' GLU . 35.0 mt -76.07 -34.88 59.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LEU . 41.6 mt-10 -34.77 -67.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -102.71 102.03 24.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 121.23 7.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.375 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.4 OUTLIER -147.35 147.44 28.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.561 0.696 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 14.17 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 100' ' ' HIS . 3.5 mt -113.48 -10.32 13.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.577 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 10.3 ptm -60.56 -43.42 97.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 105' ' ' GLN . 17.9 m-85 -100.01 -30.93 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -33.4 -47.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -57.58 -56.93 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 88' ' ' GLN . 22.1 mt -58.87 -48.13 82.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -43.97 -57.27 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -44.51 -28.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.401 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 8.7 mm-40 -73.01 -49.08 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.7 mm -63.26 -41.8 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.411 ' CE1' HD21 ' A' ' 19' ' ' LEU . 45.2 t80 -48.82 -56.46 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 114' ' ' LEU . 2.5 p30 -63.28 -49.32 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.461 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 4.0 tp -40.89 -51.0 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 60.9 mtm -80.51 -56.02 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -45.66 -22.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -82.81 -63.67 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 119' ' ' SER . 5.5 m-20 -93.66 -68.3 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 118' ' ' ASP . 1.7 t -32.41 -69.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 123' ' ' PHE . 23.5 t80 -44.19 -68.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.3 t -41.51 -41.86 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.79 -35.03 74.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 120' ' ' TYR . 67.9 t80 -54.96 -56.62 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.36 -52.02 67.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -58.45 -33.69 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.9 m -62.33 175.31 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 129' ' ' PHE . 1.7 m-20 -90.55 -39.89 12.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 127' ' ' ASP . 3.3 mt -36.09 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 127' ' ' ASP . 9.7 t80 -95.01 -68.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 129' ' ' PHE . 20.0 mt -37.29 -40.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' LEU . 23.0 tttm -35.68 -66.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 133' ' ' LYS . 10.2 t60 -56.85 -47.96 79.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 132' ' ' HIS . 14.8 ttpp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.788 0.327 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 m -94.89 -46.08 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.478 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 70.9 p -45.95 -50.41 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.36 -56.39 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -48.15 -53.37 16.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.478 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 8.8 m0 -58.85 -45.51 89.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.55 92.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.99 -51.72 49.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -161.52 164.38 29.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 61.2 tp -61.91 -46.14 90.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.76 -62.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.419 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 19.2 m-20 -42.01 -32.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 6.6 tp -74.64 -56.36 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.2 mt -57.54 -46.77 83.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -59.38 -43.05 92.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 3.8 t70 -80.64 140.93 51.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.576 0.703 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -51.3 -40.48 59.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.59 -49.65 71.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.3 t -56.58 -48.54 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -49.26 64.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -66.77 -46.2 76.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CD2' HD11 ' A' ' 36' ' ' LEU . 6.9 t80 -54.24 -55.43 28.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 -42.25 -55.7 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -45.57 -61.14 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -50.35 -55.8 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 32' ' ' PHE . 94.9 mt -44.61 -55.98 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' LEU . 14.2 tmtt? -34.57 -44.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -44.28 -59.78 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -90.28 17.87 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 56.71 43.09 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.42 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.0 m -108.28 17.8 21.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.477 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 35.8 tt0 -64.77 -51.24 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 2.1 pm0 -53.15 -38.25 62.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -40.24 -53.11 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 42' ' ' GLU . 11.3 m -70.39 -35.89 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 79.7 mt -57.08 -36.89 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 25.3 t80 -80.58 -38.19 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.569 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 80.8 t90 -61.11 -45.93 92.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.98 -51.38 62.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.76 -41.45 6.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -54.51 -61.61 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -57.68 -35.5 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -73.81 -25.02 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.415 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 37.2 t80 -74.94 -29.31 60.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.43 -29.67 20.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 53' ' ' ASP . 10.3 ptmt -60.81 -35.66 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.39 137.89 58.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.1 -44.03 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 129.06 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -66.21 -48.31 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.5 m -46.6 -56.89 5.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -50.03 -36.08 27.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.415 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 6.3 mtp -70.25 -45.13 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -40.62 -49.01 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' LYS . 22.2 mt-10 -70.27 -68.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' GLU . 25.0 tptt -36.16 -35.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . -53.47 -70.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.535 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.78 -31.56 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.535 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 3.1 tt0 -54.87 -36.78 65.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.2 mt -85.97 -47.59 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.531 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.5 t80 -54.76 -43.36 72.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.439 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 11.2 mmt -72.73 2.6 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.537 HG22 ' CZ ' ' A' ' 74' ' ' PHE . 26.2 m -96.33 -67.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -106.24 -32.78 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 71' ' ' TYR . 17.5 mt -76.55 17.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.439 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -129.68 135.53 48.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -43.12 -68.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -65.63 102.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' HB2' ' OE1' ' A' ' 82' ' ' GLN . . . -155.37 124.66 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.8 t -61.04 -37.76 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -130.41 106.82 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.402 ' OE1' ' HB2' ' A' ' 79' ' ' ALA . 4.8 mt-30 -110.68 154.95 23.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.91 170.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.84 113.91 25.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.5 m -157.06 136.34 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 87' ' ' GLY . 52.2 mt-10 -81.39 121.75 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 86' ' ' GLU . . . 31.15 48.53 0.2 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.463 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 38.9 tp60 -117.15 -32.79 4.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -79.86 12.13 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -81.59 16.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.1 mt -54.56 153.31 5.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.499 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 68.9 m-20 -99.06 179.25 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -88.92 -20.69 24.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -30.59 69.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 2.3 tt -60.76 -42.29 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 97' ' ' GLU . 24.3 mt -50.83 -34.87 29.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 96' ' ' LEU . 73.5 mt-10 -32.64 -64.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -110.98 102.16 51.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 133.06 24.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.357 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -150.96 148.37 22.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 110.839 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 10.21 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 8.3 mt -112.4 17.28 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.585 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 10.6 ptm -95.72 -41.24 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.3 m-85 -103.74 -33.27 8.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -38.69 -47.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -60.35 -53.53 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 88' ' ' GLN . 17.3 mt -55.53 -41.05 72.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.569 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 37.5 tt0 -48.87 -30.53 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.02 -62.3 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 17.9 pt20 -58.11 -37.56 74.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.476 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 42.2 mm -63.79 -44.97 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -56.25 -52.4 64.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.543 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 3.4 m-20 -67.28 -49.1 65.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 113' ' ' ASN . 15.1 tp -37.18 -48.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.459 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 33.7 mtm -81.74 -61.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -40.56 -27.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 5.0 m-85 -73.68 -68.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 119' ' ' SER . 36.1 t0 -95.16 -68.3 0.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 118' ' ' ASP . 70.7 m -32.11 -63.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -54.81 -62.55 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.8 t -40.67 -57.23 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 123' ' ' PHE . 54.7 mmt-85 -53.16 -51.46 61.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 122' ' ' ARG . 15.2 t80 -34.09 -60.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 97.1 mt -47.08 -54.72 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -56.72 -41.95 78.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.6 m -55.27 141.56 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.9 m-20 -56.89 -40.31 75.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.4 mt -35.51 -41.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -89.96 -51.84 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 131' ' ' LYS . 16.7 mt -55.7 -60.33 3.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 130' ' ' LEU . 19.9 ttpp -34.04 -59.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -51.98 -61.07 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.4 tttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.744 0.307 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.551 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 13.0 m -95.3 -67.26 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.565 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 58.8 p -44.37 -34.78 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.08 -50.2 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HG2' ' CD1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -69.07 -26.57 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 29.2 m0 -70.05 -53.25 18.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.32 -43.11 92.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.89 -50.96 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 m -164.23 152.69 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 112' ' ' PHE . 53.0 tp -59.05 -47.36 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -42.97 -55.27 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' OD2' ' A' ' 25' ' ' ASP . 29.8 m-20 -49.0 -51.15 32.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 4.2 tp -61.3 -28.67 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 HD11 ' CH2' ' A' ' 48' ' ' TRP . 49.3 mt -75.47 -34.58 60.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.23 -56.23 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 22' ' ' LEU . 1.2 p30 -56.6 127.88 73.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -24.39 29.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 28' ' ' GLY . 16.9 pm0 -82.73 -25.92 32.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -81.02 -36.56 21.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.8 t -72.54 -43.66 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 111.081 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.475 ' HE2' ' CZ ' ' A' ' 31' ' ' ARG . 11.2 ptmt -45.23 -40.12 7.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.475 ' CZ ' ' HE2' ' A' ' 30' ' ' LYS . 4.3 mmt-85 -74.98 -60.77 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CE2' HD11 ' A' ' 36' ' ' LEU . 1.9 t80 -33.78 -60.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' PHE . 41.9 mtp180 -37.88 -52.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -44.27 -68.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -50.16 -60.36 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 32' ' ' PHE . 48.8 mt -40.34 -58.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -35.23 -50.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -46.31 -59.85 2.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -82.11 14.96 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 57.95 47.38 15.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.505 ' HG ' ' ND2' ' A' ' 44' ' ' ASN . 4.5 t -114.84 -5.67 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -53.03 -40.8 64.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.8 OUTLIER -64.03 -24.83 67.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.505 ' ND2' ' HG ' ' A' ' 41' ' ' SER . 3.7 m-20 -56.97 -60.28 3.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.26 -28.19 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -57.59 -36.57 71.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.481 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 19.0 t80 -80.17 -43.41 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.557 ' CH2' HD11 ' A' ' 23' ' ' LEU . 84.9 t90 -57.22 -56.12 25.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.0 mt -44.03 -47.26 8.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 70' ' ' ILE . . . -55.23 -46.54 75.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.0 m -45.57 -58.79 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.33 -63.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.77 -38.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -60.49 -60.38 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 14.3 ptpt -59.03 -30.03 67.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 32.7 mtmt -63.83 -38.74 92.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 69.5 mtm -59.45 127.68 33.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -87.02 -45.21 10.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.64 122.22 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -66.35 -49.27 67.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.0 m -44.02 -59.8 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -49.31 -47.17 47.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLN . 25.1 mtp -54.53 -52.34 62.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' MET . 80.9 mt-30 -37.97 -42.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.22 -66.97 0.62 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -40.83 -34.56 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.13 -67.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -62.97 -32.3 73.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -52.56 -66.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.402 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 34.9 mt -57.06 -37.84 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.533 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.7 t80 -61.69 -41.32 97.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.4 mmt -75.94 6.67 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.58 HG22 ' CE1' ' A' ' 74' ' ' PHE . 78.3 m -97.97 -68.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.58 ' CE1' HG22 ' A' ' 73' ' ' THR . 0.5 OUTLIER -108.75 -28.86 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 104' ' ' PHE . 12.3 mt -77.79 14.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -124.9 161.95 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.8 m -75.96 156.57 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.5 tttm 54.82 39.08 31.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -74.36 116.07 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ALA . 59.6 m -34.61 -51.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.441 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.0 m -125.58 104.64 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -97.37 162.32 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.1 m -114.08 177.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -104.2 104.94 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 34.9 m -139.45 168.93 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -129.57 119.43 23.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.0 43.42 10.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -95.37 -50.12 5.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.492 ' N ' ' CD ' ' A' ' 88' ' ' GLN . 2.2 m -38.0 -27.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 88' ' ' GLN . 8.4 ttt180 -37.0 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.525 HD11 ' CE2' ' A' ' 71' ' ' TYR . 3.5 pp -70.41 175.2 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' GLU . 68.2 m-20 -168.41 158.0 9.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' ASN . 27.1 mt-10 -36.6 -38.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -51.15 -47.62 62.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.486 HG21 ' N ' ' A' ' 96' ' ' LEU . 7.3 tt -43.06 -26.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.486 ' N ' HG21 ' A' ' 95' ' ' ILE . 38.4 mt -74.23 -38.06 63.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 8.5 mt-10 -34.04 -66.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 8.0 mm-40 -105.51 101.99 35.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.7 131.9 22.31 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.36 149.66 18.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 10.62 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.297 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 100' ' ' HIS . 6.1 mt -106.06 -14.14 15.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.546 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 10.2 ptm -65.17 -42.38 93.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE1' HD12 ' A' ' 75' ' ' LEU . 5.4 m-85 -110.6 17.8 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.48 -44.17 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -73.08 -49.24 29.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.405 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 14.2 mt -53.95 -30.44 46.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.485 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 10.8 tt0 -71.48 -31.43 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.06 -65.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 107' ' ' LEU . 8.2 pt20 -44.84 -48.22 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.466 HD13 ' CG1' ' A' ' 85' ' ' VAL . 27.5 mm -63.48 -41.31 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.453 ' CD1' HD21 ' A' ' 19' ' ' LEU . 44.5 t80 -56.93 -63.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -62.09 -30.4 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.66 -68.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 120' ' ' TYR . 29.3 mtm -61.96 -27.43 68.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -56.19 -31.53 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -117.23 -18.17 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.08 -67.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 120' ' ' TYR . 5.4 p -97.47 -59.08 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 115' ' ' MET . 61.4 t80 -32.77 -53.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -49.7 -50.85 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 125' ' ' LYS . 1.9 mpt_? -68.25 -62.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 122' ' ' ARG . 36.7 t80 -34.79 -34.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 122' ' ' ARG . 25.5 mt -68.05 -48.68 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 122' ' ' ARG . 15.9 pttm -66.59 -34.48 77.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.8 p -57.75 177.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 128' ' ' LEU . 21.2 p-10 -83.16 -42.83 16.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.0 tp -34.15 -38.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -90.9 -66.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 131' ' ' LYS . 78.6 mt -42.66 -53.99 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -33.97 -61.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.428 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 4.8 t60 -41.72 -63.92 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' HIS . 23.0 mttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.473 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 68.6 m -57.79 -54.86 42.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.433 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 42.7 p -41.15 -56.25 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.14 -44.35 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -63.06 -58.04 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.473 ' CZ2' ' HB3' ' A' ' 11' ' ' SER . 10.5 m0 -51.52 -40.87 60.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.79 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -48.85 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.6 p -168.13 160.45 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 22' ' ' LEU . 32.0 tp -60.53 -44.95 95.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -42.11 -47.29 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.461 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 15.8 m-20 -60.32 -32.87 71.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD23 ' CG ' ' A' ' 32' ' ' PHE . 4.6 tp -73.41 -44.45 58.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.6 mt -68.13 -46.58 70.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 3.0 pp20? -60.62 -45.81 92.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.19 139.03 87.16 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -43.5 2.66 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -60.97 -40.5 93.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.405 ' CA ' HD11 ' A' ' 22' ' ' LEU . . . -61.66 -58.17 14.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -43.53 -52.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -49.14 -49.83 40.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -65.3 -50.54 65.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 36' ' ' LEU . 9.8 t80 -49.42 -58.64 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH2' ' OE2' ' A' ' 42' ' ' GLU . 29.8 mtp-105 -44.35 -59.19 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -40.47 -57.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -52.97 -58.38 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 32' ' ' PHE . 41.0 mt -48.72 -56.33 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' LEU . 7.1 ttpt -32.43 -47.6 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -45.74 -59.81 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -84.58 16.3 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 53.35 43.61 31.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.42 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.8 m -117.92 17.62 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 37.8 tt0 -64.35 -55.05 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 1.0 OUTLIER -42.25 -34.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 47.9 m-20 -44.94 -40.97 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 42' ' ' GLU . 16.1 m -82.65 -32.86 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.427 ' N ' HG21 ' A' ' 45' ' ' VAL . 25.7 mt -56.64 -39.73 74.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 14.0 t80 -76.98 -42.21 39.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -61.45 -57.09 13.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mt -47.01 -51.2 17.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.21 -37.77 55.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 47' ' ' PHE . 51.7 m -57.53 -59.91 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 5.4 pt-20 -63.35 -31.56 72.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -74.94 -30.63 61.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -71.39 -28.94 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -91.18 -29.93 16.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -59.74 -35.57 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.1 mtm -60.13 159.62 9.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -115.88 -37.63 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.96 132.2 52.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -75.01 -45.38 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.5 m -55.77 -58.83 6.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -44.3 -41.18 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 mtp -61.7 -42.47 98.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -51.88 -45.58 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.98 -61.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -50.11 -33.23 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.53 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -64.0 -36.4 83.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.13 -64.09 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.2 mt -58.25 -39.18 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.55 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.3 t80 -58.51 -49.04 78.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.411 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 21.9 mtp -66.5 -5.9 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.401 HG23 ' CE1' ' A' ' 74' ' ' PHE . 18.2 m -82.59 -67.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 1.3 m-85 -111.1 -31.78 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 23.1 mt -73.14 17.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.512 ' H ' ' C ' ' A' ' 74' ' ' PHE . 37.3 t -120.35 158.34 27.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 t -79.05 144.3 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 59.51 41.47 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.01 136.89 46.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -48.51 -53.71 17.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.467 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.4 m -121.85 102.8 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -101.99 125.4 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.03 178.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -114.74 112.2 22.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 22.4 m -157.47 175.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -93.18 -61.66 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -115.3 104.8 1.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -140.45 178.04 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.0 t 67.92 35.56 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -82.65 17.95 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.4 161.31 20.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.476 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 6.5 m120 -127.45 158.37 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -36.66 -43.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 97' ' ' GLU . 1.3 mptp? -46.38 -44.36 16.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 10.4 tt -41.56 -29.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.456 HD23 ' CB ' ' A' ' 71' ' ' TYR . 59.6 mt -67.89 -39.99 83.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' LEU . 30.3 mt-10 -34.85 -60.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -114.45 101.99 54.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.07 49.78 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.512 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.81 146.78 14.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 19.02 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 100' ' ' HIS . 11.1 mt -111.63 -23.3 10.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.59 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 7.9 ptm -56.86 -47.0 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.59 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.9 m-85 -101.1 17.9 21.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -80.52 -58.07 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -61.24 -59.98 4.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.0 mt -46.83 -37.65 9.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.91 -34.88 79.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -59.87 -64.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -48.21 -50.29 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.74 -44.78 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -50.31 -47.82 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.57 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 68.0 m-80 -71.13 -45.41 63.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.6 tp -39.22 -49.84 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.486 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 29.1 mtm -82.72 -56.76 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 9.5 tttm -45.63 -23.75 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 3.4 m-85 -78.33 -67.56 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 119' ' ' SER . 1.0 OUTLIER -93.77 -67.01 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.486 ' HB2' ' CA ' ' A' ' 115' ' ' MET . 37.2 m -32.03 -70.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -39.8 -51.73 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 m -59.78 -46.75 88.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -59.42 -40.76 87.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.45 ' CE2' HD12 ' A' ' 22' ' ' LEU . 43.3 t80 -58.37 -59.99 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.6 mt -44.21 -43.53 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.67 -43.57 79.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.0 p -54.88 145.98 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 128' ' ' LEU . 5.1 p-10 -58.01 -43.0 86.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.8 mt -33.32 -41.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.564 ' CZ ' ' HD2' ' A' ' 133' ' ' LYS . 38.3 t80 -84.09 -61.91 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 43.1 mt -42.58 -55.28 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 12.8 tttp -34.29 -62.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.414 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 2.5 t60 -46.06 -51.71 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 18.3 mtpp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.795 0.331 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -87.97 -50.0 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -55.38 -31.55 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.0 81.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -59.14 -44.15 92.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -61.21 -45.86 92.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.13 83.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.17 -59.27 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -148.39 142.47 25.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.452 HD23 ' CE1' ' A' ' 112' ' ' PHE . 37.7 tp -49.04 -46.97 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -45.81 -53.78 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -44.37 -36.58 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.467 HD12 ' CA ' ' A' ' 28' ' ' GLY . 5.2 tp -71.44 -55.19 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 mt -54.91 -46.72 74.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 18.5 pt-20 -63.04 -41.63 99.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.3 m-20 -72.05 137.89 82.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.45 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -55.89 -37.28 68.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.467 ' CA ' HD12 ' A' ' 22' ' ' LEU . . . -66.11 -60.71 6.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -42.58 -41.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -64.06 -61.28 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -51.46 -46.59 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.436 ' CD2' HD12 ' A' ' 36' ' ' LEU . 3.5 t80 -53.53 -60.1 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -44.42 -45.93 9.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -48.82 -59.79 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -60.96 -41.19 95.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 HD12 ' CD2' ' A' ' 32' ' ' PHE . 45.2 mt -54.48 -38.5 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -53.4 -38.08 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -43.35 -46.84 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.89 9.78 32.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 63.27 44.09 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -111.05 17.22 20.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 34.7 tt0 -65.03 -31.69 73.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -63.31 -33.9 76.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -45.68 -44.4 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 46' ' ' LEU . 18.0 m -78.73 -33.47 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.452 ' N ' HG23 ' A' ' 45' ' ' VAL . 29.8 mt -56.19 -34.16 65.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.578 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 36.2 t80 -79.2 -50.3 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.408 ' CH2' ' OE1' ' A' ' 52' ' ' GLU . 87.9 t90 -52.28 -47.84 65.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.71 -47.82 84.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.35 -46.7 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.7 m -52.92 -51.32 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' OE1' ' CH2' ' A' ' 48' ' ' TRP . 27.3 mt-10 -60.81 -55.02 38.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.83 -18.91 9.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CE2' ' SD ' ' A' ' 103' ' ' MET . 49.2 t80 -82.13 -42.41 19.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -84.41 -20.23 32.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -68.87 -39.83 79.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ptp -76.15 152.5 36.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.71 10.03 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.68 118.35 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -61.87 -58.68 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.9 m -41.56 -57.91 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -54.57 -43.12 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.9 mtp -59.74 -42.46 93.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -44.7 -50.59 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' LYS . 8.5 mt-10 -72.09 -68.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 7.6 tptp -35.81 -40.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.78 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -70.06 -38.87 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -48.3 -34.52 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.41 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 77.7 mt -86.09 -46.75 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 2.9 t80 -57.51 -30.79 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.8 mmt -86.65 5.97 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.571 HG23 ' CZ ' ' A' ' 74' ' ' PHE . 17.8 m -97.96 -56.73 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 1.5 m-85 -117.89 -32.17 4.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 104' ' ' PHE . 19.3 mt -79.48 15.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -119.28 150.15 40.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.8 m -75.63 152.19 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? 54.16 43.56 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.69 130.39 37.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.7 t -45.52 -53.79 8.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -117.33 102.83 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -113.2 125.1 53.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.35 142.05 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.91 115.98 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.6 m -149.77 122.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.35 120.62 21.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.58 84.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.44 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -54.82 161.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 91' ' ' LEU . 72.9 m -68.63 173.78 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -76.38 15.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 89' ' ' SER . 52.4 mt -51.98 143.43 13.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -137.78 164.27 29.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -57.43 -23.85 52.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -58.22 -37.02 74.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 103' ' ' MET . 16.1 tt -52.25 -23.8 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.415 HD13 ' CB ' ' A' ' 68' ' ' LYS . 16.0 mt -67.19 -29.25 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -52.59 -42.07 64.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 43.3 mt-10 -126.47 102.38 26.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.74 128.81 16.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.558 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -151.86 148.4 21.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 110.893 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.7 4.18 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.636 2.224 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.452 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 6.0 mt -103.56 17.87 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.561 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 7.0 ptm -88.34 -45.87 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.574 ' CE1' HD12 ' A' ' 75' ' ' LEU . 2.8 m-85 -109.37 16.85 22.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -63.15 -41.15 99.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 106' ' ' LYS . 2.2 mppt? -75.8 -53.47 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.404 ' CD1' HD13 ' A' ' 91' ' ' LEU . 7.1 mt -51.88 -31.61 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.23 -27.63 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -74.06 -66.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -43.7 -43.95 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.6 mm -67.43 -39.91 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.452 ' CE1' HD23 ' A' ' 19' ' ' LEU . 30.6 t80 -58.72 -61.02 2.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -64.57 -30.47 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 22.8 tp -50.88 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' TYR . 34.8 mtm -65.38 -26.45 68.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -56.08 -31.16 62.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -117.97 -13.92 10.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.406 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 1.0 OUTLIER -89.99 -68.74 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 122' ' ' ARG . 64.5 m -90.78 -60.45 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 115' ' ' MET . 56.5 t80 -32.15 -46.72 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 m -63.72 -47.48 80.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -69.72 -61.08 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 129' ' ' PHE . 25.4 t80 -34.78 -32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.541 HD22 ' CE2' ' A' ' 129' ' ' PHE . 64.8 mt -70.57 -62.8 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -42.78 -37.13 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.4 t -56.98 177.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 128' ' ' LEU . 10.5 m-20 -97.71 -38.61 9.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.7 tt -34.16 -41.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 123' ' ' PHE . 2.4 t80 -92.3 -57.37 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.3 mt -53.7 -58.53 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 127' ' ' ASP . 0.5 OUTLIER -44.83 -30.32 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -78.05 -45.02 24.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 37.3 p -83.46 -49.9 8.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.799 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.426 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 37.1 p -38.96 -53.35 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.51 -44.28 68.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -60.52 -46.96 88.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 18.8 m0 -61.63 -50.91 70.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.29 -40.92 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.04 -54.62 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t -157.59 152.7 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.427 HD22 ' CE1' ' A' ' 112' ' ' PHE . 39.4 tp -60.11 -41.01 91.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -47.23 -41.91 19.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -64.07 -35.68 81.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.54 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 5.8 tp -73.22 -50.12 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 31.5 mt -64.3 -45.57 87.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -61.33 -36.12 79.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 9.7 m-20 -87.27 142.76 33.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.84 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -51.52 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -46.19 -44.3 15.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.59 -61.98 6.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -42.65 -47.79 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -51.23 -53.06 38.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -65.38 -48.27 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.06 -45.96 64.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -54.59 -59.56 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -40.54 -54.0 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' A' ' 122' ' ' ARG . 83.1 t80 -56.09 -64.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 69.9 mt -45.82 -59.02 3.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LEU . 1.1 tmmt? -36.4 -41.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -46.9 -49.32 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.59 17.93 19.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 60.52 38.71 18.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.792 ' HG ' ' ND2' ' A' ' 44' ' ' ASN . 27.0 t -102.62 -13.92 16.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 44' ' ' ASN . 12.6 tt0 -43.03 -58.06 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' GLU . 3.8 pt-20 -35.04 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.792 ' ND2' ' HG ' ' A' ' 41' ' ' SER . 42.6 m-20 -52.76 -66.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.2 m -57.03 -39.51 66.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 81.9 mt -47.39 -38.8 13.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 4.3 t80 -79.68 -42.23 25.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 85.9 t90 -58.46 -47.35 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.4 mt -57.22 -55.51 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.51 -45.05 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.3 m -47.67 -56.05 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -66.85 -63.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.9 -39.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -57.97 -62.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.5 ptpt -56.39 -34.38 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 21.4 mtmm -60.77 -45.38 94.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 56' ' ' LYS . 14.6 mtm -34.41 -41.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 54.69 40.48 31.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -141.63 128.99 21.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -63.17 -61.19 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.2 m -47.81 -61.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -49.13 -40.57 33.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 mtt -66.69 -42.31 86.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -49.38 -38.57 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -81.48 -67.53 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -41.25 -41.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -41.27 -67.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 1.2 ptmm? -63.79 -35.84 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -50.92 -61.72 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.3 mt -57.94 -40.73 77.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.547 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.4 t80 -55.9 -51.02 69.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.1 mmm -69.44 -5.7 25.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.56 HG23 ' CE2' ' A' ' 74' ' ' PHE . 9.0 m -79.55 -63.07 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 73' ' ' THR . 1.7 m-85 -117.98 -30.96 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 71' ' ' TYR . 28.7 mt -75.13 18.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 74' ' ' PHE . 3.8 t -107.49 165.31 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.4 p -80.62 -52.2 7.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -80.56 17.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.99 111.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.7 p -52.39 -33.51 43.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.407 ' HB3' ' CD ' ' A' ' 43' ' ' GLU . 3.1 m -125.59 104.4 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -110.37 147.69 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -104.81 165.51 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -85.6 129.26 34.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.492 ' CG2' ' HB3' ' A' ' 88' ' ' GLN . 2.4 m -143.58 170.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 8.1 pt-20 -111.54 -36.52 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -145.68 46.1 0.79 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.492 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 0.7 OUTLIER -96.06 -63.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLN . 3.3 t -36.8 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 88' ' ' GLN . 65.3 mtt180 -36.93 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.452 ' C ' HD11 ' A' ' 91' ' ' LEU . 4.0 pp -61.09 174.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 95' ' ' ILE . 15.1 t-20 -165.87 166.35 17.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 92' ' ' ASN . 38.3 mt-10 -32.99 -37.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' ASN . 5.1 mmmm -53.06 -48.71 67.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.489 HG21 ' N ' ' A' ' 96' ' ' LEU . 8.4 tt -44.89 -23.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.489 ' N ' HG21 ' A' ' 95' ' ' ILE . 51.8 mt -77.86 -35.31 51.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 96' ' ' LEU . 18.2 mt-10 -32.06 -64.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 31.7 mt-10 -113.81 102.0 54.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.68 0.752 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.78 133.58 25.88 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.511 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -152.96 148.74 20.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.84 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.433 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.4 Cg_endo -69.76 19.48 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.5 mt -115.58 -29.04 6.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.511 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 8.7 ptm -44.96 -43.13 8.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 105' ' ' GLN . 10.5 m-85 -100.75 -29.38 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 104' ' ' PHE . 18.5 tt0 -31.98 -44.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 106' ' ' LYS . 8.4 mptt -75.4 -49.73 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' PHE . 31.9 mt -55.04 -34.05 63.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.571 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 30.3 tt0 -65.43 -30.94 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.0 -67.1 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -46.15 -51.12 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.3 mm -61.9 -41.4 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.427 ' CE1' HD22 ' A' ' 19' ' ' LEU . 68.0 t80 -56.94 -62.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 67.1 m-80 -55.94 -43.56 77.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 118' ' ' ASP . 12.6 tp -42.1 -72.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.42 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 55.7 mtm -52.54 -29.99 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 113' ' ' ASN . 17.5 ttpt -47.85 -48.03 31.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.451 ' CE1' ' O ' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -115.47 3.87 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 114' ' ' LEU . 2.4 t0 -98.02 -63.7 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 121' ' ' SER . 14.1 m -97.68 -62.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.454 ' C ' ' O ' ' A' ' 119' ' ' SER . 74.9 t80 -32.92 -35.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 119' ' ' SER . 34.2 t -60.63 -61.78 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 11.5 ptp180 -68.17 -31.25 70.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -54.95 -35.5 64.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.39 -55.31 6.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -57.17 -35.23 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.6 p -54.44 163.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.5 m-20 -76.35 -41.16 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 127' ' ' ASP . 8.8 tp -33.99 -36.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 127' ' ' ASP . 32.6 t80 -96.06 -64.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 131' ' ' LYS . 25.5 mt -40.68 -50.98 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -33.99 -58.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 133' ' ' LYS . 8.4 t60 -65.63 -56.05 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 132' ' ' HIS . 2.0 ttpm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.742 0.305 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.4 p -59.6 -52.51 65.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.4 p -47.01 -32.72 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -46.68 66.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -57.56 -41.42 80.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.499 ' N ' ' CD1' ' A' ' 15' ' ' TRP . 9.9 m0 -62.46 -62.1 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.76 -33.66 10.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.59 -49.25 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.7 m -164.32 164.48 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.79 -45.83 84.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 23' ' ' LEU . 48.0 mt-10 -45.75 -65.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -38.47 -45.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.486 HD23 ' CD1' ' A' ' 32' ' ' PHE . 6.0 tp -62.97 -44.37 96.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD12 ' CH2' ' A' ' 48' ' ' TRP . 38.2 mt -64.23 -43.67 94.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -56.13 11.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 12.2 t70 -53.47 139.88 47.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.638 0.732 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.8 Cg_endo -69.8 -42.84 3.02 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.45 -41.78 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.78 -41.32 97.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 94.9 t -66.16 -41.84 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.118 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -50.2 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.4 mpt_? -51.63 -50.1 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.486 ' CD1' HD23 ' A' ' 22' ' ' LEU . 2.1 t80 -41.52 -44.6 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -73.41 -33.7 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' ARG . 71.1 mm-40 -66.32 -45.09 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -40.25 63.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.17 -52.13 65.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -47.81 -37.24 13.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -53.03 -47.77 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -93.4 11.08 29.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 57.83 38.27 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.5 m -114.38 16.82 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.06 -31.24 68.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 4.6 pt-20 -54.38 -20.43 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -63.62 -60.74 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.451 HG21 ' N ' ' A' ' 46' ' ' LEU . 23.2 m -66.33 -45.11 90.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.451 ' N ' HG21 ' A' ' 45' ' ' VAL . 16.9 mt -41.85 -37.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -80.44 -35.21 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CH2' HD12 ' A' ' 23' ' ' LEU . 88.6 t90 -65.23 -52.16 56.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.72 -55.11 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.65 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.2 m -47.73 -62.73 1.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.05 -55.91 17.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -46.86 -42.45 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -56.68 -57.12 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 15.2 ptpt -61.68 -29.2 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 16.8 mtmm -63.19 -33.96 76.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.1 mtm -71.52 126.77 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -84.91 -50.03 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -52.68 128.27 25.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -54.42 12.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.6 m -40.5 -56.56 2.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -52.68 -38.46 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.4 mtp -69.08 -43.0 75.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -42.61 -38.91 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -80.7 -64.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -40.15 -34.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.99 -67.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -62.89 -33.75 75.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -49.5 -58.27 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.4 mt -63.51 -48.13 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.54 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.4 t80 -57.02 -31.39 65.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.402 ' HE1' ' CD1' ' A' ' 71' ' ' TYR . 12.4 mmt -82.96 0.66 43.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 m -94.99 -72.35 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 1.5 m-85 -98.07 -61.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.44 HD11 ' CD2' ' A' ' 71' ' ' TYR . 24.7 mt -37.9 -38.27 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.8 t -62.51 154.61 28.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -78.73 156.59 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.78 32.49 14.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.401 ' HB2' ' HG3' ' A' ' 82' ' ' GLN . . . -71.97 133.18 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 m -44.91 -25.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.0 m -151.67 109.72 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.401 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.8 mt-30 -109.51 150.29 28.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.2 m -99.38 165.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -98.59 126.18 44.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 m -153.15 173.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -58.46 -54.53 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.72 85.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -74.64 -39.65 61.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.411 ' C ' ' N ' ' A' ' 91' ' ' LEU . 14.9 m -42.35 -27.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -45.08 -21.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.411 ' N ' ' C ' ' A' ' 89' ' ' SER . 45.5 mt -81.33 161.38 23.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 94' ' ' LYS . 64.9 m-20 -153.75 152.48 30.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -40.14 -26.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -61.96 -46.43 89.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.8 tt -46.61 -21.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 97' ' ' GLU . 57.2 mt -73.89 -37.36 64.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 96' ' ' LEU . 48.3 mt-10 -34.03 -58.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -109.35 102.02 47.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 127.22 14.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.485 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -154.5 148.73 19.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 5.55 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 2.5 mt -97.08 -20.29 18.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 7.9 ptm -59.48 -26.75 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 103' ' ' MET . 8.9 m-85 -116.12 -21.41 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -41.53 -51.24 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -62.82 -68.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -38.42 -45.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.422 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 44.6 tt0 -43.56 -65.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' GLN . 11.2 t70 -36.29 -58.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -44.7 -56.53 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.49 -48.42 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -42.25 -51.97 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.35 -45.14 56.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 tp -40.29 -68.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 120' ' ' TYR . 17.6 mtm -62.79 -18.2 62.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -65.84 -36.45 83.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.27 -5.61 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -92.54 -67.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 122' ' ' ARG . 22.1 p -97.08 -60.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 115' ' ' MET . 9.6 t80 -34.95 -43.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -41.75 99.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 119' ' ' SER . 6.2 ttp-105 -74.71 -37.74 62.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 126' ' ' SER . 35.6 t80 -50.82 -58.45 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 68.0 mt -43.64 -41.67 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -25.46 56.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 123' ' ' PHE . 22.6 t -57.98 175.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 129' ' ' PHE . 6.3 p-10 -91.85 -48.32 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 127' ' ' ASP . 1.9 tt -33.65 -34.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' ASP . 20.9 t80 -89.86 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 35.1 mt -36.24 -59.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 40.9 mttt -34.74 -54.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -72.12 -43.03 65.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 129' ' ' PHE . 6.7 ttpp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 69.4 p -97.94 -49.45 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.537 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 24.7 p -54.18 -60.28 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.04 -44.77 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -58.83 -49.69 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.537 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 7.5 m0 -58.96 -49.36 78.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.02 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.049 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.49 -57.49 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -154.61 141.19 18.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 tp -48.84 -48.66 41.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -42.77 -52.5 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 76.9 m-20 -51.96 -36.65 50.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tp -73.31 -42.49 62.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.575 HD13 ' CH2' ' A' ' 48' ' ' TRP . 40.3 mt -64.48 -46.3 83.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 13.6 pt-20 -58.33 -42.81 87.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.1 m-20 -73.01 134.81 80.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.611 0.72 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.89 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -55.06 -45.0 75.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.4 -57.17 21.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.7 t -42.09 -44.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -52.79 -61.29 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -51.63 -46.23 63.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.442 ' CZ ' ' OG ' ' A' ' 119' ' ' SER . 2.4 t80 -53.04 -57.17 11.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 34' ' ' GLU . 37.8 mtm180 -46.42 -63.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' ARG . 2.9 mm-40 -32.86 -59.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -51.71 -67.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.7 mt -45.85 -58.76 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -37.55 -40.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -50.09 -45.51 52.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' OE1' ' NH2' ' A' ' 122' ' ' ARG . 8.6 pt-20 -95.05 13.55 24.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 53.04 44.9 29.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 33.7 m -116.82 -13.67 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.7 tt0 -39.72 -37.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 19.3 pm0 -36.7 -27.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 42' ' ' GLU . 1.3 p30 -61.1 -59.87 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 46' ' ' LEU . 29.8 m -65.02 -39.65 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.5 ' N ' HG23 ' A' ' 45' ' ' VAL . 95.3 mt -53.63 -38.08 63.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.524 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 2.2 t80 -83.74 -39.67 19.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.575 ' CH2' HD13 ' A' ' 23' ' ' LEU . 76.5 t90 -56.75 -52.24 65.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.8 mt -55.47 -43.31 75.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.6 71.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.4 m -48.85 -62.66 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -52.67 -61.5 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -40.61 -44.47 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.563 ' CZ ' ' HE1' ' A' ' 63' ' ' MET . 55.6 t80 -54.03 -63.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 16.8 ptpt -55.5 -35.42 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 29.2 mtpp -57.8 -44.29 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 63.8 mtm -58.41 130.98 49.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -87.76 -44.75 10.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -53.58 136.67 38.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -78.64 -51.41 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.3 m -43.86 -58.08 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.7 -42.4 62.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.563 ' HE1' ' CZ ' ' A' ' 54' ' ' PHE . 40.5 mtp -60.51 -44.95 95.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -48.94 -42.85 38.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.88 -55.27 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -50.64 -32.92 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.34 -68.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -56.66 -42.41 78.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.91 -59.51 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.7 mt -57.15 -49.61 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -53.51 -44.48 69.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.451 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 97.3 mmm -68.07 -2.23 7.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.41 HG21 ' CZ ' ' A' ' 74' ' ' PHE . 22.9 m -94.24 -69.26 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 2.3 m-85 -100.81 -36.13 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.509 ' CG ' ' HA ' ' A' ' 71' ' ' TYR . 15.7 mt -76.49 17.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 2.3 t -120.38 170.16 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.5 m -82.55 153.57 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.13 37.07 11.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.77 116.84 29.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -68.56 -43.65 76.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.438 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -89.07 17.89 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -54.29 113.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.33 175.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -118.11 113.02 20.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.434 ' HB ' ' NE2' ' A' ' 110' ' ' GLN . 35.2 m -149.8 164.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -96.05 122.09 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.79 44.59 14.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 90' ' ' ARG . 1.7 tm0? -73.16 -54.63 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' ARG . 42.7 t -44.62 -21.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 88' ' ' GLN . 17.0 ttm180 -37.52 -33.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 75' ' ' LEU . 1.5 pt? -92.16 159.73 15.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.471 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.5 m120 -151.85 159.68 43.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 92' ' ' ASN . 2.4 mp0 -31.91 -38.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 92' ' ' ASN . 46.7 mmtt -49.89 -49.18 50.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 96' ' ' LEU . 13.0 tt -42.48 -24.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.489 ' N ' HG22 ' A' ' 95' ' ' ILE . 44.1 mt -73.71 -38.76 64.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' LYS . 52.1 mt-10 -33.04 -59.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 5.8 pt-20 -111.35 102.03 52.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.68 0.752 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.77 21.94 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.504 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.23 148.06 16.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 0.0 110.832 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.429 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 52.9 Cg_endo -69.84 18.12 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.1 mt -112.43 -27.92 8.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.449 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 7.8 ptm -47.77 -43.37 27.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' GLN . 9.2 m-85 -96.3 -36.93 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 104' ' ' PHE . 19.5 tm0? -33.37 -44.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -63.19 -62.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 108' ' ' GLN . 15.3 mt -53.32 -52.01 60.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.517 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 62.0 tt0 -38.04 -53.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -41.62 -45.97 3.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.434 ' NE2' ' HB ' ' A' ' 85' ' ' VAL . 26.9 mt-30 -60.36 -61.05 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.438 ' N ' ' CD1' ' A' ' 111' ' ' ILE . 0.4 OUTLIER -52.26 -56.82 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' ILE . 89.7 t80 -37.4 -40.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.568 ' OD1' ' CD1' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -81.55 -43.75 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 113' ' ' ASN . 14.4 tp -36.01 -60.21 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 111' ' ' ILE . 2.0 mpp? -66.59 -40.29 88.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.496 ' HA ' ' CB ' ' A' ' 120' ' ' TYR . 19.5 ttpt -47.34 -23.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.568 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 25.0 m-85 -117.91 -30.33 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.405 ' CG ' HD13 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -73.64 -69.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 121' ' ' SER . 32.6 p -90.55 -59.09 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.496 ' CB ' ' HA ' ' A' ' 116' ' ' LYS . 56.9 t80 -34.59 -30.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 119' ' ' SER . 3.7 m -77.73 -68.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.448 ' NH2' ' OE1' ' A' ' 39' ' ' GLU . 14.6 ptt180 -63.15 -49.06 75.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -39.87 -54.0 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.0 mt -54.15 -44.42 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -70.58 -29.04 65.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 m -62.8 176.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.0 OUTLIER -82.55 -43.51 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.0 mt -33.43 -37.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 127' ' ' ASP . 26.3 t80 -98.0 -67.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' PHE . 12.3 mt -37.61 -46.92 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -60.03 3.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -55.31 -57.12 13.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 27.8 tttp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -114.99 118.97 34.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.896 0.379 . . . . 0.0 110.803 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -117.46 138.33 51.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.824 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.58 -98.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -144.95 144.01 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -77.58 149.84 34.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.66 -46.05 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.9 p -55.63 -28.33 54.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 146.37 51.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -54.14 106.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 m -90.24 -54.12 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -39.11 -45.28 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.2 69.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -60.01 -57.56 12.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.432 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 11.4 m0 -54.02 -43.63 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 124' ' ' LEU . . . -62.9 -43.9 97.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.98 -57.98 7.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 m -151.34 135.5 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.571 HD12 ' CD1' ' A' ' 120' ' ' TYR . 50.0 tp -47.3 -40.71 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -49.75 -44.21 48.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -58.03 -31.85 67.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 5.6 tp -78.27 -39.89 38.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD13 ' CH2' ' A' ' 48' ' ' TRP . 34.5 mt -68.53 -44.38 74.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 14.6 pt-20 -62.59 -39.79 94.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 33.8 m-20 -76.97 145.17 73.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -44.27 2.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.01 -45.83 86.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' CA ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.14 -50.12 66.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.43 -42.05 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -55.96 -49.55 73.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -73.33 -58.84 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -38.78 -49.26 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -53.08 -59.21 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -43.73 -51.45 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 4.1 t80 -52.86 -47.59 67.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 45' ' ' VAL . 77.7 mt -67.49 -61.1 2.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -34.14 -36.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.1 mtpt -43.84 -57.74 3.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -93.29 16.0 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 54.04 45.08 28.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 m -114.0 -10.93 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ASN . 8.5 pm0 -45.08 -32.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' OE2' ' C ' ' A' ' 81' ' ' SER . 8.5 pt-20 -38.48 -26.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 42' ' ' GLU . 71.0 m-20 -62.16 -53.32 56.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 36' ' ' LEU . 26.9 m -65.34 -29.92 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.446 ' N ' HG23 ' A' ' 45' ' ' VAL . 19.7 mt -64.49 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 12.4 t80 -81.33 -39.84 24.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.57 ' CH2' HD13 ' A' ' 23' ' ' LEU . 85.5 t90 -60.81 -50.22 74.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 mt -53.26 -50.43 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . -50.73 -52.82 36.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.427 ' CB ' ' HB2' ' A' ' 108' ' ' GLN . 82.3 m -35.7 -54.12 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.45 -63.22 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.28 -44.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 83.7 t80 -52.25 -59.46 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 9.7 ptpt -62.02 -33.27 74.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 31.3 mtpt -59.03 -58.52 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' LYS . 54.1 mtm -35.58 -40.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 53.36 38.43 27.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.935 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 63' ' ' MET . 8.0 m-20 -127.14 132.42 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -66.48 -59.36 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.0 m -51.06 -63.13 1.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -49.78 -40.62 42.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 5.2 mtt -63.95 -48.12 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -42.22 -38.09 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -81.48 -68.7 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -39.17 -37.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.9 -68.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -62.7 -35.6 80.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -52.41 -62.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.1 mt -59.67 -44.8 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.3 t80 -54.57 -45.6 73.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mmm -75.65 2.83 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.427 HG23 ' CZ ' ' A' ' 74' ' ' PHE . 25.5 m -92.27 -59.56 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -118.04 -28.98 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 mt -80.61 18.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -109.3 161.17 15.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.2 t -73.27 -45.24 56.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -82.88 17.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 73' ' ' THR . . . -63.86 112.75 3.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -59.12 -30.2 67.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.449 ' C ' ' OE2' ' A' ' 43' ' ' GLU . 2.2 m -128.05 101.99 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -105.45 115.23 29.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.8 m -55.72 165.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -97.07 128.68 44.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.462 ' CG1' HD12 ' A' ' 111' ' ' ILE . 17.0 m -156.58 173.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -75.1 -45.74 39.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.95 68.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.465 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 10.7 pt20 -90.19 17.57 6.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.8 m -80.37 -8.47 59.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -48.81 -31.33 6.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 91' ' ' LEU . 3.6 pp -68.07 171.33 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' LYS . 2.3 t-20 -167.78 167.74 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -37.7 -26.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 92' ' ' ASN . 48.1 mmtt -65.29 -46.39 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 96' ' ' LEU . 8.4 tt -45.12 -23.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.506 ' N ' HG22 ' A' ' 95' ' ' ILE . 34.0 mt -78.51 -35.08 46.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' LEU . 13.9 mt-10 -33.38 -67.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -106.91 102.03 40.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.727 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 130.12 18.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 0.0 112.299 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.505 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -153.52 148.55 19.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.576 0.703 . . . . 0.0 110.851 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 18.85 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.5 mt -113.91 -17.78 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.475 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 8.3 ptm -65.43 -38.17 89.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 105' ' ' GLN . 25.2 m-85 -100.55 -37.63 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 104' ' ' PHE . 2.2 tp-100 -32.0 -48.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -72.22 -53.61 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 88' ' ' GLN . 50.8 mt -50.23 -31.63 14.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.47 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 30.3 tt0 -75.91 -34.46 59.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.38 -56.71 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -55.3 -56.57 18.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.462 HD12 ' CG1' ' A' ' 85' ' ' VAL . 27.1 mm -47.37 -41.95 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.564 ' CE2' ' HD2' ' A' ' 116' ' ' LYS . 23.1 t80 -53.51 -52.38 59.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -37.54 87.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 10.8 tp -54.53 -59.84 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 120' ' ' TYR . 49.9 mtm -65.92 -29.51 69.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.838 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.564 ' HD2' ' CE2' ' A' ' 112' ' ' PHE . 3.2 mtpm? -54.37 -35.08 62.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -116.77 -15.57 10.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 29.1 t70 -85.64 -63.58 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 120' ' ' TYR . 14.3 m -95.32 -62.99 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.571 ' CD1' HD12 ' A' ' 19' ' ' LEU . 30.5 t80 -35.6 -65.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 120' ' ' TYR . 1.7 m -37.18 -52.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.418 ' HG2' ' NZ ' ' A' ' 125' ' ' LYS . 33.5 mtm180 -65.47 -52.14 55.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 122' ' ' ARG . 68.6 t80 -38.19 -44.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' A' ' 16' ' ' ALA . 87.8 mt -62.9 -53.56 52.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.418 ' NZ ' ' HG2' ' A' ' 122' ' ' ARG . 10.5 pttm -81.58 15.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.2 m -100.75 154.36 18.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -60.29 -45.6 92.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.2 tp -40.15 -40.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -93.14 -56.16 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 131' ' ' LYS . 29.4 mt -43.93 -57.87 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 130' ' ' LEU . 17.4 mmtp -34.11 -54.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -66.14 -43.58 86.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 130' ' ' LEU . 40.3 tttp -56.97 -34.26 67.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -77.58 -63.52 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 136' ' ' GLU . 12.6 t -49.98 -27.74 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.417 ' N ' HG21 ' A' ' 135' ' ' THR . 16.8 tt0 -56.57 -59.61 4.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -132.1 137.79 47.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.46 172.57 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -86.86 163.78 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -106.57 135.94 47.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.14 13.46 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 61.0 mt -85.62 152.19 56.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.569 0.7 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.29 2.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 54.5 p -66.55 117.35 8.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -119.11 -164.72 12.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 87.19 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.7 m -48.53 -53.16 19.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.2 t 57.06 41.81 26.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 59.79 42.96 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -84.38 150.98 24.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.58 -112.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.7 p -94.7 -47.33 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -108.48 148.78 29.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.44 91.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 m -105.28 166.06 10.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -91.59 -31.09 16.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -60.29 125.93 25.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 p -57.39 -47.71 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 p -43.24 -54.34 4.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.81 -42.09 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -63.92 -58.24 7.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -53.04 -52.34 58.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.32 77.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.49 -51.05 21.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.8 m -159.64 152.37 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.451 HD23 ' CE1' ' A' ' 112' ' ' PHE . 20.7 tp -57.92 -44.53 86.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -45.71 -59.05 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 58.3 m-20 -40.58 -34.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.407 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 6.5 tp -72.48 -44.49 62.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.65 -46.57 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -60.86 -46.15 91.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.494 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 43.0 m-20 -72.44 143.34 85.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -50.4 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -50.76 -41.72 56.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.16 -63.89 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -38.25 -52.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.474 ' N ' ' HE3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -53.69 -56.92 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' PHE . 20.3 mmt-85 -59.83 -64.39 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' A' ' 36' ' ' LEU . 8.8 t80 -37.86 -54.79 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' GLU . 35.3 mtt180 -45.64 -66.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' ARG . 1.6 mm-40 -34.25 -58.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.588 ' CZ ' ' OE2' ' A' ' 39' ' ' GLU . 2.1 t80 -54.99 -45.08 74.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 35' ' ' PHE . 84.0 mt -62.21 -60.05 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.3 ttmm -36.02 -52.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -46.67 -60.13 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.588 ' OE2' ' CZ ' ' A' ' 35' ' ' PHE . 9.3 pt-20 -75.41 6.5 4.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 63.14 41.6 7.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -111.96 -7.08 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.75 -50.76 65.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 14.8 pm0 -40.34 -29.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -60.62 -60.17 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.427 HG13 ' CD1' ' A' ' 36' ' ' LEU . 22.3 m -63.14 -35.15 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 84.6 mt -51.82 -40.65 60.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.534 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 23.1 t80 -79.88 -49.82 11.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.481 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 44.6 t90 -52.16 -40.5 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.36 -51.54 59.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.68 -27.75 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.0 m -66.7 -66.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.12 -24.75 11.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -81.41 -33.74 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -68.89 -24.06 64.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 3.6 ptpp? -95.57 -30.96 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 57' ' ' MET . 7.5 ptpt -59.28 -33.07 70.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.488 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 31.2 mtm -61.2 146.13 48.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -97.24 -47.95 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -56.6 140.69 45.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -82.91 -48.42 10.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.0 m -46.59 -56.2 6.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -50.25 -36.23 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.8 mtp -70.76 -41.95 71.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -46.95 -42.07 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -78.77 -60.19 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -48.41 -28.48 3.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.5 -66.69 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -65.37 -34.28 77.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -48.03 -66.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.4 mt -55.62 -37.04 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.571 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -60.14 -42.84 95.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.402 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 94.2 mmm -74.95 8.05 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.0 m -98.05 -68.46 0.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -111.55 -29.73 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' A' ' 104' ' ' PHE . 19.8 mt -75.37 10.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.402 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.9 OUTLIER -118.63 177.14 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.1 m -91.85 157.44 16.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp 62.07 34.53 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.77 113.39 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.1 m -62.97 -38.61 91.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.2 p -87.01 17.05 4.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.01 122.43 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.49 173.91 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -104.87 117.23 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.7 m -151.14 146.93 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -41.86 -58.22 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.95 110.51 1.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.65 167.06 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.4 m 63.29 32.05 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 mmm-85 -88.88 -32.01 17.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 91' ' ' LEU . 1.3 pt? -71.72 125.34 26.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.461 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 62.4 m-80 -73.7 169.32 17.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.86 -29.68 70.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -35.5 53.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 4.4 tt -49.22 -21.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD23 ' CG ' ' A' ' 71' ' ' TYR . 57.9 mt -75.47 -33.18 60.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -41.75 -64.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 9.9 pt-20 -105.16 102.02 33.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.646 0.736 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.0 Cg_endo -69.76 133.23 25.07 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.78 151.67 21.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 6.58 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 7.5 mt -110.39 17.97 20.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.574 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 11.4 ptm -93.29 -43.65 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 6.2 m-85 -100.28 -37.59 8.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 104' ' ' PHE . 4.2 tt0 -34.28 -48.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -44.43 -61.52 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.42 -40.5 91.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.481 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 37.9 tt0 -51.08 -19.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.96 -59.85 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -60.59 -37.45 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.9 mm -63.37 -37.13 78.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.451 ' CE1' HD23 ' A' ' 19' ' ' LEU . 20.7 t80 -55.69 -62.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -64.68 -36.0 82.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 tp -41.67 -64.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 120' ' ' TYR . 36.4 mtm -69.85 -24.23 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -56.64 -30.71 63.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -115.82 -14.14 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -93.71 -56.76 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 120' ' ' TYR . 31.8 m -95.41 -67.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 123' ' ' PHE . 68.4 t80 -36.24 -67.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.9 t -39.51 -35.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.442 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 13.8 ttm180 -84.4 -33.42 23.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 120' ' ' TYR . 52.5 t80 -53.18 -52.12 59.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.9 mt -49.94 -35.9 25.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -76.06 -37.99 57.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.6 m -54.65 168.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -80.3 -44.66 19.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 127' ' ' ASP . 9.4 tp -33.6 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 127' ' ' ASP . 50.0 t80 -91.03 -67.9 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 131' ' ' LYS . 91.5 mt -36.14 -45.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -34.16 -59.7 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -66.8 -46.93 73.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -54.26 -19.17 4.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -89.9 -63.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.9 t -51.72 -27.68 12.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -52.22 -55.52 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -101.62 155.96 17.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -104.93 130.71 53.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.8 176.99 4.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -114.14 121.93 45.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.66 5.63 12.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.53 153.08 78.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 134.4 27.83 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.8 p -70.37 -39.14 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -167.39 -105.83 0.19 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.5 m -167.16 166.32 15.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.8 m -135.17 109.15 8.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -91.99 -44.94 8.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -101.41 111.81 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.53 -177.13 26.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.7 m -141.58 172.96 11.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -58.07 110.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.11 -39.06 2.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.3 m -71.85 -37.89 70.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 tp -142.89 151.59 41.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -76.42 157.88 31.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.9 p -97.77 -40.96 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -52.14 -50.93 60.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.6 -41.6 42.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -64.01 -51.93 61.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.543 ' CZ2' ' HA2' ' A' ' 28' ' ' GLY . 20.1 m0 -57.83 -55.82 29.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.87 -38.09 61.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.9 38.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.9 p -157.92 140.4 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 25.4 tp -48.49 -46.15 37.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -44.2 -52.85 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.487 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 92.3 m-20 -49.04 -36.06 17.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.2 tp -70.67 -36.99 73.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.48 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 32.5 mt -73.56 -45.41 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 3.0 pp20? -63.6 -45.44 90.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -66.75 130.61 94.01 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.0 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.72 -35.04 73.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.543 ' HA2' ' CZ2' ' A' ' 15' ' ' TRP . . . -69.51 -54.33 13.28 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.2 t -44.41 -42.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -46.25 -60.13 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 32' ' ' PHE . 2.9 mpt_? -55.4 -60.0 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CD1' HD21 ' A' ' 22' ' ' LEU . 3.2 t80 -36.48 -62.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -45.97 -50.45 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -54.78 -54.32 43.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -55.01 -43.64 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' LYS . 81.2 mt -61.77 -57.46 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -35.23 -37.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -43.68 -52.64 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -102.31 17.98 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 59.71 44.92 13.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 10.6 p -107.39 -12.48 15.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 43' ' ' GLU . 27.1 tt0 -39.58 -60.07 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' GLU . 6.1 tp10 -34.77 -37.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 41' ' ' SER . 10.3 m-20 -43.47 -49.18 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.421 HG22 ' N ' ' A' ' 46' ' ' LEU . 27.6 m -75.29 -30.7 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' N ' HG22 ' A' ' 45' ' ' VAL . 31.1 mt -58.69 -36.99 75.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.549 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 23.5 t80 -83.32 -38.91 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.48 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 63.7 t90 -63.23 -52.98 60.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.39 -46.01 69.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.95 -48.1 61.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.8 m -49.85 -50.98 43.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 6.0 tm-20 -59.4 -62.61 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -48.96 -34.68 13.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CZ ' ' HE3' ' A' ' 63' ' ' MET . 75.9 t80 -62.67 -60.2 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 13.1 ptpt -53.77 -33.29 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 53.2 mtpt -56.45 -42.74 78.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.6 mtm -56.84 133.02 54.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -96.26 -43.37 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -53.39 127.73 25.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -67.05 -54.15 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 m -48.73 -61.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -45.37 -38.62 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.418 ' HE3' ' CZ ' ' A' ' 54' ' ' PHE . 54.5 mtp -66.89 -44.33 81.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -43.54 -49.39 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' HA ' ' CE ' ' A' ' 68' ' ' LYS . 15.6 mt-10 -64.97 -66.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -45.22 -26.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.9 -69.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.8 -30.79 71.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.423 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 10.3 mt-10 -50.35 -57.53 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.0 mt -71.65 -41.36 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.57 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -57.96 -31.15 66.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mmt -84.64 -6.29 59.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.8 m -91.62 -68.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -97.99 -66.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 34.0 mt -34.73 -45.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 t -52.41 123.18 10.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -57.93 -26.56 62.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -80.15 13.99 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.34 141.91 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.4 t -93.61 -38.96 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 m -82.27 17.34 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -51.96 118.84 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -57.11 156.62 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -71.51 115.04 10.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.424 HG21 ' NE2' ' A' ' 88' ' ' GLN . 9.6 m -151.35 143.61 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -46.23 -48.94 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.45 79.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 90' ' ' ARG . 3.8 pt20 -81.45 -41.77 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 88' ' ' GLN . 30.9 t -40.24 -24.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 88' ' ' GLN . 18.8 ttt180 -38.57 -32.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.0 159.39 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.533 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 82.6 m-20 -113.82 -179.05 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -86.24 -20.48 28.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -57.19 -37.79 72.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.533 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 0.7 OUTLIER -51.89 -40.73 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLU . 65.0 mt -51.21 -43.82 61.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' LEU . 27.8 mt-10 -34.55 -65.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.01 102.89 45.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 140.71 43.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.322 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.529 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.84 148.49 17.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 110.878 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 13.99 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.37 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.466 ' H ' ' C ' ' A' ' 100' ' ' HIS . 8.7 mt -110.74 -12.68 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.596 ' HE2' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 ptm -62.83 -51.34 67.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.596 ' CZ ' ' HE2' ' A' ' 103' ' ' MET . 2.4 m-85 -102.89 17.74 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -71.48 -47.09 57.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -72.8 -54.96 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.1 mt -48.06 -35.31 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.465 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 52.5 tt0 -68.36 -35.58 77.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -63.03 -62.77 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -46.0 -47.36 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.0 -38.95 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -49.32 -57.5 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 114' ' ' LEU . 18.5 m-80 -65.25 -46.97 78.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 12.6 tp -35.35 -58.89 0.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 120' ' ' TYR . 51.6 mtm -73.48 -29.19 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 113' ' ' ASN . 28.7 tttm -52.58 -31.54 36.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -117.44 -24.72 7.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 26.1 t0 -79.83 -57.42 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 120' ' ' TYR . 19.5 m -96.39 -67.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 115' ' ' MET . 37.8 t80 -32.92 -50.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.4 t -54.97 -57.01 13.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 123' ' ' PHE . 43.4 mmm-85 -60.52 -54.05 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' A' ' 122' ' ' ARG . 22.0 t80 -32.54 -61.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.54 HD22 ' CE2' ' A' ' 129' ' ' PHE . 47.2 mt -44.41 -56.07 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -43.92 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.1 t -54.9 150.82 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -58.53 -44.26 89.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 127' ' ' ASP . 63.2 tp -34.97 -33.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.54 ' CE2' HD22 ' A' ' 124' ' ' LEU . 60.9 t80 -96.34 -59.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 131' ' ' LYS . 56.1 mt -45.89 -53.1 10.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 130' ' ' LEU . 13.1 mmmt -34.32 -61.22 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -62.48 -40.57 97.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -53.8 -59.3 4.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 134' ' ' ARG . 2.4 mmp_? -42.77 -46.49 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.6 m -41.9 -41.59 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -70.66 170.57 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -95.14 176.46 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -82.02 124.0 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -111.04 157.74 19.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.16 125.93 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 141' ' ' ASP . 15.5 t0 -85.97 16.12 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 34.4 mt -96.54 140.16 22.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -33.56 16.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 96.2 p -83.91 167.48 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 162.54 -119.61 0.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 109.04 2.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.1 t -92.18 132.13 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.2 p -63.13 -49.38 74.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -49.18 -58.8 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.4 p -133.96 141.3 47.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.84 -125.29 2.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -85.79 166.7 15.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.883 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -87.16 164.33 16.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.93 91.28 0.41 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.9 p -65.08 -38.44 90.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' ' 10' ' ' LYS . 4.6 pp -70.47 176.66 3.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' N ' HD11 ' A' ' 9' ' ' LEU . 10.1 mmpt? -113.6 151.53 31.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 13' ' ' ALA . 4.5 m -85.63 -57.81 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.9 p -38.83 -25.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' SER . . . -63.65 -66.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.598 ' HG3' ' CD1' ' A' ' 15' ' ' TRP . 4.6 pttm -48.98 -34.64 13.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.598 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 10.2 m0 -76.43 -40.97 49.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.12 -36.91 81.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.69 -60.38 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.9 m -151.99 171.07 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 112' ' ' PHE . 24.1 tp -73.54 -38.51 65.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.26 -45.61 45.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 28.6 m-20 -64.76 -21.99 66.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.53 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 5.5 tp -85.57 -47.08 10.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD12 ' CZ2' ' A' ' 48' ' ' TRP . 44.8 mt -67.25 -40.35 86.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 25' ' ' ASP . 12.5 pt-20 -60.62 -45.78 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 7.1 m-20 -81.83 143.43 50.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.722 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.258 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -56.06 -36.32 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.45 ' CA ' HD13 ' A' ' 22' ' ' LEU . . . -67.21 -52.31 32.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -48.56 -51.11 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -53.86 -55.3 27.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HA ' ' CD ' ' A' ' 34' ' ' GLU . 27.5 mmm-85 -60.74 -12.25 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CD1' ' CD2' ' A' ' 22' ' ' LEU . 37.5 t80 -87.87 -35.27 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' GLU . 54.0 mtp180 -72.43 -43.91 63.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 1.9 pt-20 -37.39 -51.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -69.07 -54.23 16.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.1 mt -43.13 -49.27 6.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -49.62 -39.63 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -48.43 -51.9 24.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -95.53 13.71 25.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 55.64 42.51 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -109.9 10.13 24.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -55.42 -31.96 62.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -58.37 -17.57 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -61.24 -65.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.54 -35.97 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.0 mt -48.86 -40.26 28.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.55 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 6.5 t80 -79.25 -37.39 38.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.412 ' CZ2' HD12 ' A' ' 23' ' ' LEU . 87.4 t90 -61.12 -52.81 63.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 31.1 mt -49.8 -56.49 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -36.1 -55.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 58.1 m -46.07 -67.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.479 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 8.9 mm-40 -44.88 -35.66 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.17 -35.08 61.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 35.1 t80 -65.44 -49.76 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 52' ' ' GLU . 1.4 ptmm? -63.02 -31.66 72.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -60.45 -37.9 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.9 mtm -66.82 134.01 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -97.4 -47.03 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -53.27 137.96 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 63' ' ' MET . 47.1 tttt -74.51 -60.17 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.6 m -36.49 -57.46 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -52.59 -41.76 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.468 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 4.5 mtt -66.57 -47.8 71.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -39.42 -41.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -75.47 -67.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HG3' ' CD1' ' A' ' 70' ' ' ILE . 32.7 tptt -40.55 -34.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.47 -67.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -67.28 -31.89 72.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -53.1 -53.92 43.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.406 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 48.1 mt -69.94 -37.24 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.591 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 2.5 t80 -64.03 -19.16 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.8 mmt -101.23 9.08 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.695 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 44.3 m -97.98 -61.49 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.695 ' CE1' ' CG2' ' A' ' 73' ' ' THR . 3.2 m-85 -117.82 -37.97 3.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.511 ' CD2' ' CD1' ' A' ' 107' ' ' LEU . 45.8 mt -57.89 -42.19 84.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.482 ' HG ' ' N ' ' A' ' 77' ' ' SER . 12.8 t -58.09 158.31 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.482 ' N ' ' HG ' ' A' ' 76' ' ' SER . 68.4 m -77.78 -44.83 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -72.37 2.42 6.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.69 121.34 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m -54.57 -26.14 30.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -136.46 102.16 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.46 ' OE1' ' CD ' ' A' ' 88' ' ' GLN . 9.1 tt0 -107.88 109.36 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.8 m -56.57 177.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -113.48 138.4 50.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.2 m -157.94 139.71 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -44.69 -33.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.11 71.43 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.46 ' CD ' ' OE1' ' A' ' 82' ' ' GLN . 12.3 tm0? -91.1 159.73 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.6 m 60.68 46.09 9.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -111.66 -29.51 7.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.5 mt -75.83 155.14 35.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 94' ' ' LYS . 56.9 m-20 -138.16 154.54 49.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -43.3 -23.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 92' ' ' ASN . 2.9 mppt? -63.6 -43.19 97.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 96' ' ' LEU . 11.1 tt -45.71 -23.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' N ' HG23 ' A' ' 95' ' ' ILE . 47.9 mt -72.42 -37.28 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 96' ' ' LEU . 17.3 mt-10 -34.25 -49.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -121.41 102.02 43.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 123.81 10.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.369 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.576 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -151.39 150.06 25.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.547 0.689 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 9.9 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 2.1 mt -107.63 -13.52 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.576 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 8.2 ptm -60.92 -38.9 87.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 103' ' ' MET . 6.0 m-85 -102.87 -33.31 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 104' ' ' PHE . 32.5 tp60 -32.11 -53.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 -59.74 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.511 ' CD1' ' CD2' ' A' ' 75' ' ' LEU . 14.2 mt -57.3 -42.77 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -46.94 -64.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -38.52 -55.61 1.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -48.82 -60.5 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.8 -42.72 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -44.46 -61.56 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -66.07 -44.36 84.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 10.4 tp -38.38 -59.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' TYR . 30.9 mtm -68.37 -34.78 76.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -55.09 -29.47 57.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -114.68 -16.17 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 35.1 t0 -93.37 -61.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' TYR . 44.6 t -89.84 -67.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' SER . 50.7 t80 -33.69 -55.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.5 t -52.33 -62.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 123' ' ' PHE . 62.9 mtp85 -56.89 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' A' ' 122' ' ' ARG . 6.5 t80 -33.59 -59.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.0 mt -44.78 -63.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.68 -43.11 65.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -55.21 143.1 28.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.7 p-10 -48.14 -39.49 20.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 127' ' ' ASP . 15.6 tp -34.14 -46.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -93.77 -51.89 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.6 -59.79 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -47.07 -60.51 2.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -51.34 -43.9 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -57.73 -46.03 85.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 136' ' ' GLU . 21.8 ttp180 -70.51 -60.39 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 134' ' ' ARG . 88.6 m -34.45 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.5 tp10 -72.67 -56.93 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -70.44 -6.01 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -78.76 167.11 21.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.94 153.12 41.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.06 177.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.44 38.58 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.7 155.62 75.72 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.587 0.708 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -34.26 14.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 30.8 t -86.7 120.42 27.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -41.52 126.1 3.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 86.1 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.312 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.3 m 56.5 45.62 22.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -7.49 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -68.86 168.8 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -135.72 168.32 19.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.03 -36.89 52.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 6' ' ' SER . 48.5 p -40.11 -55.67 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' SER . 68.2 p -37.95 -39.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.66 -115.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -91.57 124.83 36.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -58.8 -42.65 89.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -73.18 123.52 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.4 m -90.54 -57.05 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.7 p -38.73 -52.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.48 -43.8 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -58.99 -51.63 69.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.428 ' CG ' HD11 ' A' ' 22' ' ' LEU . 12.0 m0 -59.39 -46.2 89.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.15 94.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.74 -57.91 7.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LEU . 4.7 t -155.72 134.57 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 120' ' ' TYR . 46.6 tp -37.44 -53.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -36.0 -62.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.489 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 6.6 m-20 -39.15 -39.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD11 ' CG ' ' A' ' 15' ' ' TRP . 5.3 tp -69.7 -38.02 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 20' ' ' GLU . 50.2 mt -72.95 -45.9 55.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 2.9 pp20? -63.74 -40.08 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 3.2 t70 -77.28 141.2 66.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.0 Cg_endo -69.73 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.236 . . . . 0.0 112.391 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -51.36 -42.9 61.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.8 -59.67 8.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -42.67 -45.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -53.43 -54.73 32.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -63.68 -47.81 79.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' ARG . 2.9 t80 -50.42 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HB3' ' CD ' ' A' ' 42' ' ' GLU . 33.7 mtp180 -38.01 -57.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -44.75 -51.88 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -51.94 -53.31 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 HD13 ' OD1' ' A' ' 44' ' ' ASN . 83.6 mt -57.21 -48.04 79.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -42.99 -38.23 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -39.92 15.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -111.18 9.33 21.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 62.88 44.16 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.476 ' OG ' ' ND2' ' A' ' 44' ' ' ASN . 6.7 t -117.96 17.94 14.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.838 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 33' ' ' ARG . 38.3 tt0 -71.71 3.42 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -82.05 -45.62 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.476 ' ND2' ' OG ' ' A' ' 41' ' ' SER . 13.4 p30 -46.18 -40.81 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.459 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 14.5 m -76.31 -30.99 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.0 mt -65.8 -40.0 91.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -79.81 -40.43 28.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.477 ' NE1' ' HG2' ' A' ' 108' ' ' GLN . 79.3 t90 -56.64 -55.23 36.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.2 mt -54.75 -53.43 55.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' ASP . . . -38.84 -53.22 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 69.5 m -39.49 -61.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 71.3 mm-40 -50.87 -33.04 22.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 56' ' ' LYS . 2.2 m-20 -73.87 -58.69 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CZ ' ' HE3' ' A' ' 63' ' ' MET . 82.4 t80 -40.45 -33.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 14.6 ptpt -84.05 -31.04 25.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.8 ptpp? -66.06 -34.02 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.485 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 75.4 mtm -54.33 -42.25 69.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 52.92 37.29 24.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' MET . 1.2 m-20 -130.56 137.52 49.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -74.22 -54.93 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.8 m -55.16 -55.37 31.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -57.6 -46.62 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.547 ' HE3' ' CZ ' ' A' ' 54' ' ' PHE . 78.7 mtp -59.73 -44.38 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -44.76 -40.93 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' LYS . 24.4 mt-10 -78.81 -69.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' GLU . 14.8 tptt -37.48 -42.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.62 -67.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -56.2 -32.21 64.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.56 -61.76 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -55.95 -43.42 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 5.2 t80 -63.17 -58.59 6.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.2 mtp -59.29 -12.7 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.455 HG21 ' CZ ' ' A' ' 74' ' ' PHE . 58.5 m -84.16 -70.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -98.01 -68.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.578 HD12 ' CE1' ' A' ' 104' ' ' PHE . 31.2 mt -33.9 -34.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' PHE . 2.6 t -58.31 137.92 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.3 t -71.16 -34.37 70.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -76.11 8.7 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 73' ' ' THR . . . -88.42 128.98 35.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.3 m -75.41 -37.25 60.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 m -84.69 18.03 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -52.03 117.49 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.0 m -57.76 143.12 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -73.41 109.51 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.421 HG23 ' CD ' ' A' ' 88' ' ' GLN . 21.5 m -144.36 126.9 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.68 133.25 55.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.04 -90.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.421 ' CD ' HG23 ' A' ' 85' ' ' VAL . 12.4 tt0 55.29 47.88 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.965 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.6 p -113.97 14.81 18.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -88.5 15.54 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.1 pt? -137.64 157.85 45.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 95' ' ' ILE . 7.2 m120 -167.67 167.96 12.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 45.7 mt-10 -34.12 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 92' ' ' ASN . 17.1 mmtp -57.28 -48.01 79.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 96' ' ' LEU . 16.0 tt -42.86 -23.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.477 ' N ' HG23 ' A' ' 95' ' ' ILE . 40.8 mt -75.32 -38.78 60.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 96' ' ' LEU . 79.3 mt-10 -33.36 -64.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -112.16 102.0 53.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.609 0.719 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 139.16 39.51 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.734 2.289 . . . . 0.0 112.31 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -157.27 149.62 17.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.824 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 7.8 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.5 mt -112.49 17.92 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.581 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 9.2 ptm -90.92 -43.16 10.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.581 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.5 m-85 -110.89 17.02 20.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.0 -59.16 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -59.15 -53.78 54.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.4 mt -44.75 -37.91 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.477 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 52.8 tt0 -61.23 -35.22 76.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -65.85 -68.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -43.4 -49.86 6.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.62 -42.76 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.7 t80 -49.85 -53.58 24.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.67 -45.46 92.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.2 tp -42.41 -57.8 2.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 17.5 mtm -73.14 -33.72 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.48 ' HE3' ' CE1' ' A' ' 112' ' ' PHE . 28.6 ttmt -55.87 -25.04 40.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -117.95 -26.13 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 25.4 t70 -77.01 -64.32 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 120' ' ' TYR . 11.3 p -94.11 -66.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.566 ' CD1' HD11 ' A' ' 19' ' ' LEU . 42.9 t80 -32.02 -67.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 120' ' ' TYR . 19.7 t -35.57 -61.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 123' ' ' PHE . 24.6 mmm180 -59.49 -54.62 44.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 129' ' ' PHE . 52.2 t80 -32.11 -63.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.9 mt -38.86 -48.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -72.02 -42.06 66.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.7 t -54.91 148.97 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 128' ' ' LEU . 2.1 p-10 -58.74 -43.23 90.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.3 tp -32.14 -44.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.567 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . 31.0 t80 -83.5 -62.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 131' ' ' LYS . 91.1 mt -45.67 -60.56 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' LEU . 32.2 tptt -33.82 -54.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -48.04 -52.98 17.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 129' ' ' PHE . 35.6 mtpt -42.52 -57.33 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -57.51 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.3 m -41.41 -47.55 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -66.44 164.04 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.35 131.89 53.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -154.55 169.43 23.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.92 155.41 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -150.81 124.75 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -95.71 13.7 25.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 72.0 mt -75.19 152.61 86.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.82 26.23 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.368 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.9 t -68.07 134.37 50.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -105.8 101.7 1.86 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.94 3.08 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 85.0 p -82.95 159.99 22.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.2 t -84.28 117.57 23.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -103.96 159.37 15.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.6 m -143.08 143.29 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.77 -169.5 30.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -67.65 -58.88 3.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -90.6 173.36 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.99 167.55 25.42 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.02 177.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.876 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pp -105.65 -33.83 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -55.32 164.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 14' ' ' LYS . 4.3 m -71.84 -45.95 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.453 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 17.9 p -37.81 -46.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.4 -43.02 61.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' SER . 1.1 mptp? -61.71 -45.25 94.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.453 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 8.5 m0 -66.4 -42.77 87.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.35 97.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.17 -54.11 28.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.8 m -161.55 156.18 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.9 -44.3 97.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -43.73 -41.82 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.464 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 72.3 m-20 -67.44 -34.71 77.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 tp -74.55 -38.44 62.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 mt -75.04 -43.14 55.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -63.72 -43.0 97.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -74.76 148.71 85.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.709 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -50.66 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.27 -46.65 76.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.49 -53.74 39.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.4 t -55.47 -44.39 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -54.08 -56.85 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -61.54 -53.73 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -46.89 -52.57 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -52.34 -53.15 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -47.15 -50.81 19.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.54 -52.92 62.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 37' ' ' LYS . 61.9 mt -54.34 -52.75 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 36' ' ' LEU . 8.7 ttpt -34.75 -45.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -42.71 -59.64 1.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -91.21 12.87 18.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 59.98 47.37 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.404 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.6 p -112.65 17.85 18.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -64.2 -53.86 42.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 1.1 pm0 -40.53 -32.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 15.0 m-20 -47.73 -59.03 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 46' ' ' LEU . 18.3 m -67.91 -37.68 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.461 ' N ' HG23 ' A' ' 45' ' ' VAL . 64.8 mt -51.17 -46.07 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' CD1' ' CD2' ' A' ' 74' ' ' PHE . 34.8 t80 -70.53 -43.97 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.519 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 80.6 t90 -57.75 -59.37 5.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 mt -48.08 -55.18 10.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . -42.84 -56.14 3.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 50' ' ' ALA . 95.0 m -36.9 -43.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.36 -49.5 22.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -51.32 -41.87 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.19 -61.32 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -56.8 -31.95 65.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 17.6 mmtt -60.2 -41.91 93.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.4 mtm -58.69 136.87 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -97.13 -44.93 6.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.84 116.72 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -60.65 -50.11 74.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.7 m -44.26 -54.81 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -57.83 -41.63 82.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.5 mtp -59.29 -47.3 85.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -44.36 -50.37 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -66.6 -68.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -41.94 -30.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.72 -68.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -65.55 -34.81 79.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -47.42 -60.93 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.97 -47.54 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 3.0 t80 -51.3 -52.4 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.9 mtp -66.49 -3.82 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.441 HG22 ' CZ ' ' A' ' 74' ' ' PHE . 4.1 m -84.48 -65.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 73' ' ' THR . 1.9 m-85 -114.16 -26.04 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 17.6 mt -81.47 16.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 77' ' ' SER . 1.7 t -106.63 172.05 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.401 ' N ' ' OG ' ' A' ' 76' ' ' SER . 43.6 t -84.5 -45.58 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -83.31 17.16 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.08 113.71 17.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.6 t -77.9 -31.62 51.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.7 p -80.43 13.52 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -51.94 116.2 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.54 170.36 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.465 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 23.3 t30 -88.69 129.83 35.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 84' ' ' ASN . 29.9 m -159.49 177.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.01 -54.68 23.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.45 72.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -54.96 -33.9 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' LEU . 1.6 t -40.25 -30.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -39.66 -28.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 89' ' ' SER . 31.4 mt -73.59 176.09 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -162.15 153.45 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -47.29 -27.62 1.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -59.84 -43.88 94.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 96' ' ' LEU . 10.4 tt -44.81 -24.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 95' ' ' ILE . 27.0 mt -72.01 -38.24 69.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 96' ' ' LEU . 5.4 mm-40 -36.79 -57.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -111.01 101.92 51.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.13 17.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -155.2 149.7 19.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.422 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.4 Cg_endo -69.78 0.7 5.28 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.4 mt -102.66 17.95 22.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.566 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 10.2 ptm -92.1 -47.44 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.5 m-85 -104.76 12.22 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 106' ' ' LYS . 20.2 tm0? -68.98 -68.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.431 ' N ' ' OE1' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -48.55 -50.14 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.65 -33.79 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.519 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 13.9 tt0 -72.64 -28.63 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.19 -50.18 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -66.92 -45.05 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.446 HD11 ' CG1' ' A' ' 85' ' ' VAL . 41.9 mm -61.52 -31.35 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -56.84 -62.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 8.5 p30 -62.81 -41.41 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.485 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 16.8 tp -40.46 -43.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.452 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 29.6 mtm -89.12 -56.77 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -44.55 -26.51 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 3.2 m-85 -75.33 -67.92 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 119' ' ' SER . 5.9 t0 -91.75 -67.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 118' ' ' ASP . 23.0 m -33.33 -68.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.426 ' CE2' HD11 ' A' ' 124' ' ' LEU . 65.4 t80 -49.64 -49.15 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -55.8 -35.28 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.803 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -77.16 -40.65 44.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -50.67 -58.44 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 120' ' ' TYR . 19.7 mt -55.98 -66.45 0.43 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -43.56 -43.97 5.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.2 m -53.62 166.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.9 p30 -70.29 -44.28 68.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.1 tp -34.18 -42.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -83.45 -61.17 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LYS . 76.0 mt -48.39 -59.55 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.9 OUTLIER -33.89 -56.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -68.1 -50.6 53.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -43.01 -44.34 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 135' ' ' THR . 14.4 mmt85 -38.67 -42.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 134' ' ' ARG . 8.9 t -36.16 -44.81 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -69.62 150.88 46.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -145.61 154.49 42.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.75 170.18 10.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -140.56 164.9 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -120.75 171.14 8.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.7 t70 59.36 36.5 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 144' ' ' SER . 1.0 OUTLIER -62.25 152.6 78.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -19.61 36.17 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.424 ' N ' HD11 ' A' ' 142' ' ' LEU . 23.7 t -61.51 131.44 50.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 130.36 -164.2 22.95 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.427 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 89.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 148' ' ' SER . 77.1 p -162.87 161.75 26.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 147' ' ' SER . 12.6 t -36.92 -53.29 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 m -93.32 162.17 14.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 p 52.15 39.94 27.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.39 116.25 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.2 p -153.42 168.46 26.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 p -87.48 -48.1 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.76 114.41 3.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 t -72.51 -40.09 67.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.483 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -119.07 174.01 6.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' N ' HD22 ' A' ' 9' ' ' LEU . 18.8 mttm -145.47 106.65 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m -79.83 -56.43 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 p -40.18 -41.35 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.93 63.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.067 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -55.87 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.426 ' CG ' HD11 ' A' ' 22' ' ' LEU . 10.2 m0 -56.15 -43.51 78.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.83 94.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.87 67.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 t -159.05 151.79 21.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 22' ' ' LEU . 50.1 tp -60.74 -49.44 77.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -40.13 -53.7 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -51.04 -35.96 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.426 HD11 ' CG ' ' A' ' 15' ' ' TRP . 6.2 tp -72.64 -49.01 34.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.56 -45.02 93.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 12.7 pt-20 -62.46 -44.98 95.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.0 t70 -70.81 140.18 86.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.77 -40.34 5.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -60.77 -44.19 97.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.07 -57.91 16.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -45.44 -46.48 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -54.62 -47.16 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.6 mmt-85 -68.6 -52.77 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -50.35 -57.28 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -42.85 -61.01 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -44.14 -57.51 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -48.78 -56.98 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' LYS . 37.7 mt -49.05 -51.98 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -36.04 -48.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -45.34 -58.77 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -87.63 15.36 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 52.1 47.98 23.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -115.67 18.05 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.64 -54.76 23.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.12 -35.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -47.34 -66.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.448 HG21 ' N ' ' A' ' 46' ' ' LEU . 16.0 m -60.93 -40.97 87.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' N ' HG21 ' A' ' 45' ' ' VAL . 20.0 mt -47.84 -36.76 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -81.82 -44.55 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -55.17 -52.86 61.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.6 mt -49.87 -48.51 51.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.51 -43.04 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.1 m -55.48 -60.15 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -53.62 48.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.59 -37.57 73.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.24 -58.32 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 10.5 ptpt -56.44 -33.93 66.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 17.4 mmtt -57.58 -41.17 80.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 mtm -61.23 134.04 56.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -96.07 -46.83 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -53.4 135.25 39.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -70.6 -58.85 3.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.3 m -38.26 -58.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -52.43 -40.16 61.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.9 mtp -67.84 -40.87 83.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -49.03 -47.31 44.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -67.3 -59.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -46.65 -41.58 14.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.65 -69.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -66.75 -38.94 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -46.32 -55.65 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.5 mt -65.14 -46.28 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.1 t80 -52.04 -47.48 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.5 mmm -72.41 -0.96 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.563 HG22 ' CZ ' ' A' ' 74' ' ' PHE . 9.3 m -86.64 -60.43 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CZ ' HG22 ' A' ' 73' ' ' THR . 0.4 OUTLIER -117.97 -30.25 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' A' ' 91' ' ' LEU . 33.2 mt -79.1 17.61 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 74' ' ' PHE . 1.6 t -103.45 163.96 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.5 p -75.33 -41.84 55.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -91.35 17.91 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.83 105.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 t -51.15 -31.01 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -126.64 102.12 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -107.78 129.23 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.86 176.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 0.5 OUTLIER -101.59 123.19 45.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.471 ' CG1' HD12 ' A' ' 111' ' ' ILE . 17.6 m -151.85 150.09 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -115.51 114.09 24.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.63 43.22 6.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -110.11 -37.45 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.4 p -40.12 -30.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.73 -33.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.477 ' CD1' HD12 ' A' ' 75' ' ' LEU . 1.4 pt? -64.9 165.89 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 94' ' ' LYS . 17.7 m120 -163.39 160.53 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.4 mt-10 -35.79 -31.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -57.94 -45.65 86.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 96' ' ' LEU . 11.8 tt -42.85 -23.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' N ' HG22 ' A' ' 95' ' ' ILE . 26.4 mt -75.17 -38.15 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 96' ' ' LEU . 39.2 mt-10 -32.09 -63.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 27.5 mt-10 -111.1 102.04 51.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.74 130.58 19.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.51 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -153.58 147.65 18.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.903 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 18.78 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.2 mt -114.82 -18.73 11.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.478 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 9.4 ptm -58.3 -46.25 86.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 105' ' ' GLN . 13.2 m-85 -94.16 -36.47 12.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.5 tp-100 -32.02 -50.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -49.01 -50.83 34.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' PHE . 30.4 mt -67.42 -40.23 85.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -47.98 -30.38 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -71.46 -64.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.415 ' HA ' ' ND2' ' A' ' 113' ' ' ASN . 7.4 pt20 -53.91 -41.77 68.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.471 HD12 ' CG1' ' A' ' 85' ' ' VAL . 36.5 mm -65.1 -43.15 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -53.33 -54.8 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 1.9 p30 -66.52 -43.01 86.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 tp -40.93 -47.16 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 39.5 mtm -85.47 -54.92 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -46.17 -24.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 3.6 m-85 -77.99 -63.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 119' ' ' SER . 0.3 OUTLIER -96.49 -68.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -32.17 -69.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -43.42 -64.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.0 m -45.0 -41.91 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 53.4 mmt-85 -68.32 -40.55 81.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -48.94 -53.89 17.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 63.9 mt -57.99 -46.64 84.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -58.71 -43.12 90.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.3 p -54.45 163.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' LEU . 8.8 p-10 -76.62 -42.76 41.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.1 mt -35.2 -44.06 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -80.97 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 131' ' ' LYS . 37.6 mt -38.73 -51.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 130' ' ' LEU . 22.8 tttm -33.78 -58.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -59.78 -48.53 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -53.93 -64.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -45.74 -53.04 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 89.5 m -42.85 -49.06 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -69.61 174.79 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.02 -1.05 21.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -70.15 120.16 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -113.63 163.5 14.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -76.71 111.6 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -92.27 18.06 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.3 pp -94.82 142.99 25.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.554 0.693 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 177.11 5.92 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 25.5 p -133.98 148.36 51.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -90.02 -179.66 44.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.538 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -176.83 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.4 t -102.88 117.01 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.7 p -53.31 161.05 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -95.65 176.65 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -133.89 135.31 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.05 -170.54 17.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 60.64 40.89 15.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.814 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -94.84 137.26 34.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.82 78.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -96.13 127.29 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.937 0.398 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -122.87 157.34 32.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.99 107.81 5.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.4 m -78.79 -55.91 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.541 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 44.4 p -44.45 -49.13 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.01 -46.45 16.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -58.16 -50.39 73.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.541 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 7.3 m0 -59.94 -48.91 79.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.41 87.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.99 -58.71 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -153.3 132.9 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.6 tp -38.56 -51.74 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -38.97 -62.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -39.03 -43.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 32' ' ' PHE . 5.5 tp -66.89 -44.45 80.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD11 ' CH2' ' A' ' 48' ' ' TRP . 64.1 mt -64.36 -36.71 85.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.99 -55.02 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.41 141.16 43.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.594 0.711 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -38.85 7.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.6 2.2 . . . . 0.0 112.377 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.18 -41.53 73.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.05 -43.82 98.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.65 -43.74 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -60.09 -45.25 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.6 mmt-85 -68.56 -46.44 69.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.429 ' CD1' HD23 ' A' ' 22' ' ' LEU . 3.5 t80 -48.89 -50.91 32.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -55.24 -46.56 76.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.01 -52.41 25.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -62.45 -42.75 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' LYS . 76.9 mt -58.77 -59.9 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' LEU . 9.1 tmtt? -37.0 -45.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -43.78 -56.37 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.82 15.8 19.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 55.47 40.71 31.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -106.2 17.08 24.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ASN . 45.1 tt0 -57.6 -58.14 9.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 3.7 pt-20 -34.42 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLU . 34.8 m-20 -43.85 -66.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.65 -36.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 82.7 mt -47.87 -39.93 20.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.525 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 16.8 t80 -74.96 -43.74 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.515 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 83.9 t90 -60.78 -57.76 11.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.73 -45.96 58.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.0 -46.76 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.0 m -46.84 -45.02 19.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.16 -34.3 77.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.4 m-20 -71.68 -58.8 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.546 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 26.8 t80 -40.15 -34.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 15.2 ptpt -85.63 -30.67 23.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.508 ' HG3' ' N ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -64.74 -35.83 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.508 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 38.0 mtm -63.06 143.41 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -97.24 -43.48 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -53.94 142.79 23.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -87.93 -39.42 14.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' GLN . 22.0 m -57.84 -65.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -40.42 -39.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.546 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 4.1 mtp -59.93 -43.22 95.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' THR . 55.1 mt-30 -44.28 -42.41 6.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -75.17 -69.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -38.55 -42.88 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . . . -49.34 -69.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -62.16 -34.38 76.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.41 -38.33 77.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.8 mt -81.32 -16.35 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -95.07 -25.7 16.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.0 mtp -91.54 9.34 32.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.561 HG21 ' CE1' ' A' ' 74' ' ' PHE . 7.4 t -117.86 -39.57 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.561 ' CE1' HG21 ' A' ' 73' ' ' THR . 1.9 m-85 -117.96 -37.44 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 91' ' ' LEU . 19.4 mt -88.51 17.81 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -115.0 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.1 p -64.84 155.04 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt 56.24 36.45 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.33 175.11 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.1 m -101.94 -37.69 8.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.8 m -99.34 17.79 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -52.22 106.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -60.71 177.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -102.53 108.46 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' HD12 ' A' ' 111' ' ' ILE . 17.1 m -141.35 134.56 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.41 -66.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.17 -88.97 2.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.451 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 34.4 tt0 53.36 43.18 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.3 m -117.88 -22.92 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -42.2 -31.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' CD1' HD12 ' A' ' 75' ' ' LEU . 2.4 pt? -78.08 165.99 23.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 94' ' ' LYS . 2.3 t-20 -164.5 165.34 21.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.5 mt-10 -33.16 -35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' ASN . 37.0 mtmt -54.63 -49.94 69.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 96' ' ' LEU . 14.9 tt -43.64 -23.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.486 ' N ' HG22 ' A' ' 95' ' ' ILE . 39.2 mt -76.51 -37.8 56.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 96' ' ' LEU . 26.6 mt-10 -34.32 -63.33 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.44 102.11 39.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 130.52 19.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.488 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.4 147.18 15.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.862 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 16.27 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 100' ' ' HIS . 13.3 mt -108.33 -17.43 14.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.539 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 8.6 ptm -65.32 -44.32 88.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.3 m-85 -100.15 17.84 20.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.448 ' C ' ' OE1' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -73.65 -54.26 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt -67.1 -46.38 74.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 88' ' ' GLN . 30.9 mt -47.58 -38.33 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.515 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 18.9 tt0 -60.47 -34.63 74.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.33 -64.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -49.17 -49.38 42.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.422 HD12 ' CG1' ' A' ' 85' ' ' VAL . 28.9 mm -63.73 -42.45 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -46.12 -49.72 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 114' ' ' LEU . 2.4 p-10 -74.28 -45.24 48.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 113' ' ' ASN . 12.1 tp -33.79 -66.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 30.9 mtm -65.46 -37.54 87.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -44.2 -28.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -117.74 -29.7 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -75.62 -61.06 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 120' ' ' TYR . 41.8 t -93.98 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.455 ' C ' ' O ' ' A' ' 119' ' ' SER . 64.2 t80 -33.11 -57.59 0.39 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.5 t -50.6 -53.95 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 124' ' ' LEU . 22.5 mmt85 -61.31 -60.51 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 122' ' ' ARG . 36.7 t80 -34.28 -34.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ARG . 90.5 mt -70.15 -51.64 29.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 122' ' ' ARG . 45.1 pttt -65.69 -37.42 86.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 125' ' ' LYS . 18.6 p -54.8 153.17 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -68.03 -41.72 81.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.0 tt -34.12 -46.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -81.63 -54.6 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 45.4 mt -49.14 -62.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 45.5 mmtt -34.14 -57.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 132' ' ' HIS . 3.0 t60 -57.51 -60.87 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -38.21 -42.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 135' ' ' THR . 47.2 ttt-85 -39.99 -45.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 134' ' ' ARG . 7.3 t -37.59 -41.28 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 134' ' ' ARG . 4.8 tp10 -71.64 156.99 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -80.58 13.79 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -73.5 115.55 13.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.05 159.67 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -87.3 106.17 17.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -82.89 -2.7 55.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.406 HD11 ' C ' ' A' ' 142' ' ' LEU . 4.4 pp -100.39 152.59 37.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 102.1 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.356 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 59.6 p -104.09 157.85 16.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.401 ' C ' ' H ' ' A' ' 147' ' ' SER . . . 177.47 160.98 25.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 6.41 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.637 2.224 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 145' ' ' GLY . 36.3 p -51.36 -48.03 62.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 6.0 m 55.13 43.38 29.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -95.86 160.7 14.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -141.55 158.9 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.35 -57.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t 54.6 40.21 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 t -90.07 120.27 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.63 117.97 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 m -134.43 116.2 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER 47.69 32.0 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -107.21 125.61 51.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 m -47.35 -48.68 25.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.9 p -50.31 -47.48 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.38 -41.44 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -64.48 -45.52 86.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 22.1 m0 -64.9 -40.75 95.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.0 84.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.79 -45.92 78.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -168.17 162.83 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' LEU . 43.7 tp -65.14 -44.66 87.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -41.76 -43.26 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -62.9 -36.67 84.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.553 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 4.9 tp -73.69 -48.23 33.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.24 -46.82 85.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 16.9 pt-20 -58.88 -43.19 90.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 2.0 m-20 -73.62 142.76 81.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -42.83 3.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.6 -41.57 97.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.473 ' CA ' HD13 ' A' ' 22' ' ' LEU . . . -60.62 -56.47 24.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -46.76 -48.14 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -55.03 -43.26 73.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -69.99 -53.7 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -43.5 -55.25 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' GLU . 47.7 mtp180 -48.4 -62.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' ARG . 21.0 mt-10 -35.17 -49.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.22 -60.16 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' CD1' HG12 ' A' ' 45' ' ' VAL . 54.6 mt -45.6 -50.28 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -41.17 -37.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -42.57 -60.84 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 9.2 pt-20 -92.66 17.98 9.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 58.71 46.13 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.423 ' OG ' ' CG ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -111.07 17.94 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.756 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.76 -35.02 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -55.41 -38.63 69.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -42.95 -58.3 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 36' ' ' LEU . 12.4 m -65.63 -40.23 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.441 ' N ' HG23 ' A' ' 45' ' ' VAL . 79.3 mt -47.16 -37.83 10.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -81.09 -41.43 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -58.15 -32.36 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mt -82.19 -39.29 23.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.07 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.0 p -55.16 -40.93 71.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.43 -57.52 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 3.4 m-20 -50.55 -35.64 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.445 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 81.6 t80 -62.0 -57.06 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -26.4 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' NZ ' ' OD1' ' A' ' 53' ' ' ASP . 22.9 mtmm -65.83 -48.13 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.0 ptp -64.78 135.6 55.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -93.15 -36.57 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -52.1 121.47 6.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -68.2 -55.96 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' LYS . 43.2 m -36.62 -54.46 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -62.78 -38.85 92.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.445 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 40.2 mtp -61.09 -47.71 85.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -49.69 -40.49 40.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -73.32 -67.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -45.92 -35.57 4.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.17 -69.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -62.78 -38.11 89.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -47.2 -60.77 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.403 ' O ' ' HB ' ' A' ' 73' ' ' THR . 20.0 mt -57.09 -41.58 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.516 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.9 t80 -59.08 -47.2 86.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.452 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 94.9 mmm -66.04 -5.01 8.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 70' ' ' ILE . 27.4 m -87.12 -68.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 76' ' ' SER . 3.5 m-85 -106.44 -34.5 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.576 HD12 ' CE1' ' A' ' 104' ' ' PHE . 18.9 mt -73.97 17.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -125.16 165.35 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.5 p -81.45 155.51 25.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 mptt 62.3 36.78 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.77 108.89 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.1 t -63.27 -43.95 96.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.6 m -80.5 13.6 2.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -52.85 125.33 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.04 168.62 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -98.74 105.82 18.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.473 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 34.3 m -140.21 170.38 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -127.52 110.55 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.94 45.57 2.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HG2' ' CG2' ' A' ' 85' ' ' VAL . 5.0 pp0? -112.23 -30.82 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.944 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.7 p -52.48 -30.74 31.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -50.5 -27.58 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.21 156.74 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -151.9 154.72 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -43.05 -30.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -52.2 -44.01 64.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 96' ' ' LEU . 11.6 tt -47.18 -24.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.452 ' N ' HG21 ' A' ' 95' ' ' ILE . 33.6 mt -74.29 -34.41 63.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.1 mt-10 -34.66 -61.97 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -116.3 102.06 53.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.2 22.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.328 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.19 152.69 28.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.533 0.683 . . . . 0.0 110.881 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 6.22 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.519 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 7.1 mt -111.64 17.97 19.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.583 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 9.4 ptm -91.35 -44.34 9.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.576 ' CE1' HD12 ' A' ' 75' ' ' LEU . 4.1 m-85 -111.12 17.95 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.89 -52.11 22.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -58.44 -55.74 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.7 mt -47.67 -40.07 18.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.52 -30.76 65.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.91 -65.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.444 ' NE2' ' HB ' ' A' ' 85' ' ' VAL . 25.5 pt20 -55.65 -43.54 76.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.466 HD12 ' CG1' ' A' ' 85' ' ' VAL . 33.5 mm -63.56 -38.21 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.7 -61.68 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -62.92 -40.74 98.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.3 tp -41.09 -55.47 2.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 117' ' ' TYR . 39.7 mtm -77.84 -48.26 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' HG3' ' CB ' ' A' ' 19' ' ' LEU . 28.0 ttpt -44.71 -21.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' MET . 59.7 m-85 -115.65 -35.62 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.78 -70.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 122' ' ' ARG . 48.9 m -66.62 -67.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 119' ' ' SER . 88.4 t80 -32.44 -63.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.7 p -42.52 -41.76 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 119' ' ' SER . 32.6 mtp85 -74.72 -50.87 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -38.38 -59.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 129' ' ' PHE . 80.1 mt -52.53 -40.34 62.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.64 -45.76 85.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.5 p -60.33 160.97 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.1 p30 -70.63 -38.64 73.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 127' ' ' ASP . 11.8 tp -32.76 -41.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.555 ' CZ ' ' HD2' ' A' ' 133' ' ' LYS . 35.4 t80 -88.82 -62.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 75.2 mt -43.73 -56.29 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.541 ' CE ' ' NH2' ' A' ' 134' ' ' ARG . 0.1 OUTLIER -38.99 -52.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -52.77 -53.22 51.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.555 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 20.6 mtpt -46.73 -44.2 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.541 ' NH2' ' CE ' ' A' ' 131' ' ' LYS . 19.1 mtm105 -72.76 -45.06 60.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 64.3 m -46.87 -45.23 20.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -62.53 170.5 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -82.35 176.2 9.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -106.67 175.67 5.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -101.48 167.07 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -114.59 18.04 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.23 15.95 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' A' ' 144' ' ' SER . 5.0 mp -58.11 153.73 33.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 11.81 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 142' ' ' LEU . 79.5 p -148.55 168.5 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -153.4 163.45 30.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -31.58 20.12 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.683 2.256 . . . . 0.0 112.315 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.9 m -134.69 118.13 16.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.2 m -40.84 -55.52 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.485 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -75.64 141.07 42.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -131.39 142.15 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.72 -50.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -121.89 161.72 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -83.02 134.19 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.64 128.8 1.94 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' LEU . 17.5 t -93.94 127.29 39.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.831 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -36.06 -53.58 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -73.66 154.51 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -83.43 -45.73 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -54.36 -54.27 42.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.71 -46.82 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -58.58 -53.62 56.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.41 ' CD1' ' OD2' ' A' ' 25' ' ' ASP . 7.7 m0 -57.84 -42.86 85.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.56 90.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.44 -61.97 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.4 p -154.81 140.49 18.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 tp -44.03 -44.76 7.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -40.15 -59.13 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 18.0 m-20 -47.46 -55.51 8.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tp -52.71 -27.2 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.527 HD12 ' CH2' ' A' ' 48' ' ' TRP . 80.3 mt -83.78 -44.08 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 2.6 pt-20 -61.36 -34.78 75.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD2' ' CD1' ' A' ' 15' ' ' TRP . 1.8 p30 -87.25 127.72 58.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.14 28.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 28' ' ' GLY . 22.7 pm0 -78.22 -25.73 47.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -80.69 -43.99 8.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -52.85 -49.56 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -44.21 -53.43 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -61.64 -44.93 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -54.18 -55.08 31.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -50.61 -58.43 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -38.37 -47.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.23 -54.85 42.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 mt -52.11 -49.56 63.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -39.79 -39.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -40.49 -49.79 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 6.3 pt-20 -107.45 10.82 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 62.1 47.3 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.43 ' OG ' ' CG ' ' A' ' 39' ' ' GLU . 1.1 p -112.09 13.6 20.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ASN . 37.1 tt0 -59.04 -44.54 91.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 pm0 -38.65 -27.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLU . 97.6 m-20 -56.97 -57.99 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -69.84 -28.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.09 -41.22 92.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.523 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 7.5 t80 -75.67 -39.17 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.527 ' CH2' HD12 ' A' ' 23' ' ' LEU . 90.9 t90 -57.06 -58.43 8.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.8 mt -50.02 -47.98 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.25 -56.45 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 61.8 m -41.25 -61.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 24.2 mm-40 -53.94 -62.23 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -42.04 -40.07 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 21.7 t80 -56.0 -58.46 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -58.92 -18.15 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' MET . 48.9 mtpt -83.57 -34.22 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.457 ' CE ' ' HG2' ' A' ' 66' ' ' LYS . 6.0 mmt -36.94 -45.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 57.96 41.83 23.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' MET . 11.2 m-20 -153.36 150.8 29.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -85.02 -62.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.5 m -48.06 -60.69 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -49.61 -44.47 47.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.491 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 6.3 mtt -61.07 -54.67 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' MET . 53.3 mt-30 -35.37 -35.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' MET . 20.4 mt-10 -80.52 -68.67 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HG2' ' CE ' ' A' ' 57' ' ' MET . 30.2 tptt -40.61 -42.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.71 -68.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -62.4 -37.24 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -49.51 -62.09 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.74 -36.72 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.48 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 4.1 t80 -66.59 -24.16 66.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.4 mmm -97.01 8.04 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.565 HG22 ' CZ ' ' A' ' 74' ' ' PHE . 95.4 m -97.91 -59.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CZ ' HG22 ' A' ' 73' ' ' THR . 1.1 m-85 -117.99 -38.56 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.501 HD13 ' CE1' ' A' ' 104' ' ' PHE . 33.5 mt -61.27 -39.29 89.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -52.06 163.93 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 m -78.72 -44.23 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -79.36 16.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.98 110.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.4 m -54.72 -29.94 54.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -131.3 102.01 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -101.13 131.45 47.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.8 m -72.68 167.73 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -99.76 117.32 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.41 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 19.6 m -140.88 176.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -89.41 -49.1 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.19 80.55 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 90' ' ' ARG . 9.3 pt20 -96.42 -39.37 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.461 ' N ' ' HG3' ' A' ' 88' ' ' GLN . 3.1 t -38.25 -26.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 88' ' ' GLN . 6.9 tpp180 -36.76 -32.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 91' ' ' LEU . 3.5 pp -68.96 176.23 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.512 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 6.8 t30 -168.08 158.59 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -40.48 -45.85 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 97' ' ' GLU . 2.9 ttpm? -48.25 -40.11 23.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 9.0 tt -45.04 -24.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 97' ' ' GLU . 59.5 mt -74.76 -36.05 62.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 96' ' ' LEU . 23.0 mt-10 -32.19 -68.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -105.66 101.98 35.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 127.82 15.17 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -150.54 147.52 21.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 18.74 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.262 . . . . 0.0 112.389 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 100' ' ' HIS . 7.3 mt -117.62 -17.25 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.563 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 6.8 ptm -53.87 -38.71 65.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.501 ' CE1' HD13 ' A' ' 75' ' ' LEU . 12.0 m-85 -106.13 -31.96 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 104' ' ' PHE . 22.2 tm0? -32.15 -42.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -67.44 -55.04 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.34 -46.25 80.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -50.99 -34.25 28.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -53.47 -62.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 22.1 pt20 -59.02 -42.51 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 42.7 mm -58.1 -39.14 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -55.21 -63.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 110' ' ' GLN . 7.3 p30 -60.39 -41.48 93.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 12.9 tp -39.43 -59.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 120' ' ' TYR . 43.8 mtm -70.34 -32.99 70.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -53.73 -29.71 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -116.18 -20.49 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 21.8 t70 -85.6 -65.24 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 120' ' ' TYR . 12.6 t -90.3 -65.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 119' ' ' SER . 28.8 t80 -33.08 -66.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 m -40.65 -48.03 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' A' ' 123' ' ' PHE . 81.6 mmt-85 -68.38 -62.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 122' ' ' ARG . 52.0 t80 -32.25 -41.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 122' ' ' ARG . 91.6 mt -62.21 -55.13 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 122' ' ' ARG . 41.1 pttt -62.58 -33.92 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 125' ' ' LYS . 15.0 m -55.99 171.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 128' ' ' LEU . 6.5 p-10 -87.96 -45.79 9.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 127' ' ' ASP . 3.0 tt -33.77 -39.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' LEU . 12.2 t80 -83.13 -66.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' PHE . 60.4 mt -36.65 -44.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -41.37 -54.72 2.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -49.64 -47.09 50.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -57.01 -46.62 82.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 134' ' ' ARG . 6.7 tmm_? -70.77 -66.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 14.6 t -39.94 -44.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.09 148.19 50.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -97.67 145.64 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.35 133.85 52.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -109.0 151.73 25.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -125.5 133.95 52.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.5 13.77 18.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.8 152.19 91.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 122.79 9.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 74.9 m -109.23 122.52 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -66.58 -118.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.48 31.91 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 t 64.24 41.81 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.9 t -123.45 144.24 49.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -83.14 -48.52 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -156.68 150.47 24.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.28 -105.82 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -88.81 162.33 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.841 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 75.3 m -60.51 -55.69 30.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.85 44.17 0.92 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -96.16 -36.66 10.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.825 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.12 134.59 44.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -113.21 178.14 4.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 m -68.07 -54.47 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.458 HG21 ' N ' ' A' ' 133' ' ' LYS . 34.3 p -40.34 -38.32 0.79 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.53 76.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -56.56 -41.91 77.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -64.34 -46.2 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.91 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.13 -62.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 m -147.12 152.37 38.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 tp -62.17 -42.77 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -47.58 -47.3 28.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -56.61 -31.84 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 32' ' ' PHE . 5.0 tp -75.15 -52.93 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.67 -43.65 93.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -62.82 -38.28 90.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.63 142.2 61.34 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -56.44 -37.08 69.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.58 -60.34 6.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -40.83 -43.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -61.27 -42.8 99.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -70.71 -44.65 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CZ ' ' OG ' ' A' ' 119' ' ' SER . 2.1 t80 -57.75 -51.78 68.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -48.8 -54.19 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -45.6 -60.54 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -44.45 -49.47 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 37' ' ' LYS . 14.3 mt -59.51 -56.03 27.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' LEU . 3.6 tmtt? -35.41 -43.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -45.22 -58.22 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -90.21 16.38 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 56.24 40.79 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.426 ' HB3' ' ND2' ' A' ' 44' ' ' ASN . 23.8 m -110.45 17.86 20.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 44' ' ' ASN . 48.4 tt0 -59.21 -50.95 72.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 6.6 pm0 -43.27 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 41' ' ' SER . 20.0 m-20 -52.6 -65.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.85 -35.67 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 80.8 mt -49.95 -34.12 19.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.451 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 13.9 t80 -79.91 -45.47 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -59.38 -51.32 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.7 mt -51.2 -54.1 28.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.61 -53.96 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 m -45.25 -56.25 5.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.15 -30.02 58.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 13.9 m-20 -77.72 -41.72 36.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -61.06 -21.76 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.1 ptpt -97.85 -32.99 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 9.2 ptpt -59.11 -35.4 73.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 29.4 mtm -64.05 159.1 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -115.65 -36.88 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.28 125.04 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -71.22 -42.66 68.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.1 m -57.83 -57.43 12.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -48.34 -30.44 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtp -73.22 -45.51 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -42.08 -33.15 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.91 -65.64 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -41.91 -32.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.52 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.485 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.27 -29.28 68.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.485 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 15.7 mt-10 -51.93 -62.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.1 mt -62.05 -37.74 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.5 t80 -60.21 -34.28 73.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.1 mmm -87.42 11.73 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 74' ' ' PHE . 20.6 m -98.0 -68.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CE1' HG22 ' A' ' 73' ' ' THR . 1.9 m-85 -105.62 -45.12 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.488 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 22.0 mt -56.18 -35.67 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.62 168.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -87.19 -40.39 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -82.14 17.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 73' ' ' THR . . . -56.85 107.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.2 p -52.36 -28.98 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -135.08 101.94 5.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -99.7 143.64 29.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.6 m -81.21 165.19 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -83.98 103.4 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' CG1' ' NE2' ' A' ' 110' ' ' GLN . 2.8 m -144.59 175.29 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -92.53 -37.42 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.78 70.46 0.17 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.425 ' CD ' HG22 ' A' ' 85' ' ' VAL . 4.5 pm0 -79.41 -7.99 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.9 m -82.94 -0.16 47.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -42.15 -38.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -77.95 163.31 26.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.531 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 5.3 t30 -133.66 166.63 22.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -44.87 -36.9 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -50.88 -37.94 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 5.1 tt -52.49 -26.95 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 68' ' ' LYS . 80.9 mt -68.49 -26.31 65.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -42.49 -56.55 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -111.24 103.5 55.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.678 0.752 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 124.44 11.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.47 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -153.38 145.69 17.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 14.62 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.724 2.282 . . . . 0.0 112.322 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 100' ' ' HIS . 7.6 mt -107.8 -20.48 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.468 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 5.6 ptm -54.65 -44.87 73.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 105' ' ' GLN . 8.5 m-85 -93.33 -35.7 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 104' ' ' PHE . 14.9 tt0 -33.66 -51.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -50.09 -60.62 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.24 -43.22 87.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -46.67 -26.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -69.67 -59.45 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.466 ' NE2' ' CG1' ' A' ' 85' ' ' VAL . 11.1 pt20 -57.33 -46.59 83.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.26 -44.98 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -54.23 -46.94 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.59 -36.52 76.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -51.78 -46.69 64.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.0 mtm -82.3 -52.0 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -48.56 -28.34 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -78.47 -63.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 119' ' ' SER . 8.3 m-20 -89.28 -67.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.548 ' OG ' ' CZ ' ' A' ' 32' ' ' PHE . 7.8 t -33.64 -51.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -58.22 -62.63 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.4 m -47.05 -58.61 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -57.57 -41.06 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -52.2 -47.7 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.62 -64.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -44.79 -40.69 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.4 m -54.74 167.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -77.51 -43.65 31.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.1 mt -33.35 -34.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 127' ' ' ASP . 48.0 t80 -89.29 -67.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 129' ' ' PHE . 9.7 mt -37.29 -40.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -61.61 -45.75 92.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 129' ' ' PHE . 1.9 t-160 -65.68 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.458 ' N ' HG21 ' A' ' 12' ' ' THR . 11.4 pttp -39.91 -38.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -76.18 -67.25 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 78.1 m -39.38 -46.26 1.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.97 156.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -154.18 168.94 24.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.55 130.91 41.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -118.52 163.7 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 14.73 20.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -84.38 9.56 12.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -62.94 152.13 84.08 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 96.21 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.291 . . . . 0.0 112.317 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.9 m -71.38 159.55 34.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.44 ' C ' ' H ' ' A' ' 147' ' ' SER . . . -171.38 173.67 44.88 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 147' ' ' SER . 54.1 Cg_endo -69.77 11.92 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.272 . . . . 0.0 112.379 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 146' ' ' PRO . 46.0 p -34.18 -36.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 146' ' ' PRO . 32.9 p -71.07 -55.01 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.485 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 p -149.48 155.54 40.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -148.71 130.47 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.17 178.89 18.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -81.74 14.91 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.376 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -131.18 155.82 46.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.62 -81.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.2 m 56.23 41.3 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 tp -84.26 148.8 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -57.61 167.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 4.6 m -93.77 -45.7 7.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.452 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 3.0 p -44.2 -41.66 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.83 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -57.01 -54.38 47.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.468 ' CZ2' ' HB3' ' A' ' 11' ' ' SER . 10.0 m0 -54.61 -47.77 72.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.62 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.7 -46.4 58.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -165.12 152.96 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 120' ' ' TYR . 30.7 tp -58.01 -44.88 87.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -44.13 -42.92 6.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.457 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 53.0 m-20 -64.71 -33.42 75.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.509 HD22 ' CG ' ' A' ' 32' ' ' PHE . 4.4 tp -73.11 -41.72 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.517 HD11 ' CE2' ' A' ' 48' ' ' TRP . 81.8 mt -72.11 -46.34 57.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -60.98 -45.95 92.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 2.3 t70 -71.39 140.48 84.9 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.631 0.729 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.5 Cg_endo -69.67 -50.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -57.4 -41.72 80.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' CA ' HD12 ' A' ' 22' ' ' LEU . . . -59.49 -54.27 39.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.5 t -50.4 -44.48 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -58.59 -55.61 32.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -57.02 -47.91 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 36' ' ' LEU . 24.3 t80 -55.48 -54.72 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -50.63 -45.13 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.52 -44.96 46.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -72.48 -50.35 26.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 32' ' ' PHE . 79.9 mt -40.97 -53.44 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 36.8 tttt -35.41 -38.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -41.16 -66.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.01 17.61 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 58.41 46.37 15.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 p -107.1 16.97 23.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.28 -28.5 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -74.77 -38.55 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' OD1' ' OE2' ' A' ' 43' ' ' GLU . 2.7 m120 -39.28 -53.59 1.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' TRP . 27.4 m -72.93 -43.1 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.431 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 35.7 mt -41.13 -42.99 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -74.62 -34.91 62.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.517 ' CE2' HD11 ' A' ' 23' ' ' LEU . 56.7 t90 -66.59 -42.16 87.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ALA . 18.9 mt -61.66 -56.48 19.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -36.75 -46.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 91.1 m -48.49 -64.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 8.6 mm-40 -45.43 -30.89 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -78.1 -61.73 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -39.68 -32.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -89.29 -29.1 19.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 53' ' ' ASP . 8.2 ptmt -61.49 -40.38 94.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.4 ptp -77.43 146.85 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.27 -36.11 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -52.12 118.73 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' THR . 8.9 ttpp -66.21 -57.33 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' LYS . 18.5 m -36.82 -56.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -52.08 -46.73 65.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' GLN . 53.7 mtp -55.46 -53.18 59.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' MET . 90.6 mt-30 -35.15 -38.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -80.16 -66.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -39.82 -41.17 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.94 -68.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 7.1 ptmt -58.13 -35.28 71.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 4.6 mm-40 -53.84 -66.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.6 mt -52.73 -37.97 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.7 t80 -61.65 -52.01 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.1 mmm -69.72 1.95 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.454 HG21 ' CZ ' ' A' ' 74' ' ' PHE . 62.3 m -95.78 -59.86 1.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.454 ' CZ ' HG21 ' A' ' 73' ' ' THR . 2.0 m-85 -112.18 -31.5 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 71' ' ' TYR . 22.5 mt -79.02 17.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 74' ' ' PHE . 26.0 t -121.13 147.01 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -73.38 149.31 42.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? 61.19 37.41 17.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -82.65 121.83 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ALA . 15.2 t -36.32 -39.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m -138.84 114.08 9.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -113.78 146.91 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.409 HG13 ' CD ' ' A' ' 43' ' ' GLU . 31.1 m -87.85 139.95 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -71.2 120.25 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.488 ' CG1' HD13 ' A' ' 111' ' ' ILE . 6.6 m -149.31 152.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -66.98 -43.69 82.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -127.64 -92.84 0.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.467 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 23.4 tt0 57.57 35.05 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.327 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 91' ' ' LEU . 80.4 p -117.36 -37.69 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -38.18 -31.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 2.5 pp -71.5 165.27 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 95' ' ' ILE . 15.8 t-20 -168.03 169.17 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' ASN . 13.0 mt-10 -32.74 -37.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' ASN . 1.5 mmmp? -54.42 -48.36 71.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 92' ' ' ASN . 13.8 tt -43.87 -22.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' N ' HG23 ' A' ' 95' ' ' ILE . 36.6 mt -78.15 -36.62 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 22.1 mt-10 -32.59 -65.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -108.84 101.99 46.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.632 0.729 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 127.99 15.37 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.5 OUTLIER -149.56 146.5 20.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.618 0.723 . . . . 0.0 110.803 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 18.14 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.725 2.283 . . . . 0.0 112.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 100' ' ' HIS . 6.0 mt -114.58 -21.15 10.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.516 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 9.2 ptm -52.85 -42.63 65.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 105' ' ' GLN . 16.3 m-85 -99.27 -32.23 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 104' ' ' PHE . 1.1 tm0? -31.97 -44.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -66.81 -55.51 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 88' ' ' GLN . 27.4 mt -53.28 -34.74 58.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.486 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 8.2 tt0 -57.6 -28.68 63.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -67.83 -64.7 0.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.479 ' NE2' HG13 ' A' ' 85' ' ' VAL . 8.8 pt20 -49.0 -43.69 40.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.488 HD13 ' CG1' ' A' ' 85' ' ' VAL . 31.1 mm -62.33 -48.82 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 19' ' ' LEU . 41.2 t80 -48.23 -58.34 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' LEU . 14.5 m-20 -64.19 -47.36 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' ASN . 15.8 tp -36.85 -64.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 120' ' ' TYR . 35.2 mtm -66.6 -34.57 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -46.09 -31.89 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -116.12 -29.26 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -75.37 -59.53 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 120' ' ' TYR . 15.6 m -96.11 -67.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.531 ' CD1' HD12 ' A' ' 19' ' ' LEU . 87.7 t80 -32.34 -64.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 t -40.24 -52.05 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 122' ' ' ARG . 47.9 mtt-85 -65.03 -46.21 82.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -41.54 -66.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.9 mt -44.08 -52.76 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.63 -41.15 76.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.4 t -55.09 147.13 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 128' ' ' LEU . 9.7 m-20 -64.15 -41.57 97.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.1 tt -33.81 -43.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -84.59 -61.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.0 mt -39.75 -60.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -41.91 -58.26 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -57.19 -36.54 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.21 -33.34 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 136' ' ' GLU . 2.5 tmm_? -57.97 -63.26 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 136' ' ' GLU . 9.1 t -35.66 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 134' ' ' ARG . 35.0 tt0 -44.02 -57.48 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -59.45 128.31 36.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -60.83 170.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.6 151.72 23.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -80.08 13.33 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 t70 58.96 32.09 21.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 23.3 mt -113.02 141.68 26.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 117.64 5.2 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.709 2.273 . . . . 0.0 112.368 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 41.0 m -47.48 -53.18 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -130.98 -119.95 2.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.63 41.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 94.0 p -108.6 175.25 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.5 t -83.93 -60.76 2.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.1 m -36.35 -52.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.829 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -56.93 -60.85 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.47 85.69 1.0 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.43 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -89.51 -58.61 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -57.7 110.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.473 ' N ' ' HE3' ' A' ' 10' ' ' LYS . . . 168.7 -65.34 0.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -94.4 -43.8 8.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 pp -43.07 -29.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.473 ' HE3' ' N ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -66.76 158.15 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 -55.89 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 p -48.68 -47.19 41.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.159 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.15 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -57.48 -42.52 82.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -64.79 -51.85 60.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.23 85.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.45 -58.56 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.2 m -155.48 147.77 23.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' GLU . 23.7 tp -51.78 -54.82 24.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' LEU . 35.2 mt-10 -35.0 -66.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' GLU . 46.7 m-20 -36.66 -39.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' LEU . 5.2 tp -68.0 -48.21 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD13 ' CH2' ' A' ' 48' ' ' TRP . 35.6 mt -60.05 -29.86 68.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.5 -51.12 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.08 139.19 87.8 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -31.3 20.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.52 -38.71 59.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.96 -44.84 93.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.83 -45.08 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -55.67 -43.99 76.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -74.2 -42.19 60.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -54.46 -54.63 38.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -46.05 -62.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -39.0 -51.02 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -55.07 -41.22 71.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.0 mt -70.93 -47.05 61.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.17 -44.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -50.2 -61.13 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -78.6 9.33 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 54.34 42.61 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 m -115.45 16.46 16.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 44' ' ' ASN . 32.6 tt0 -53.47 -48.39 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CD ' ' HB3' ' A' ' 81' ' ' SER . 5.9 pt-20 -44.04 -22.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLU . 28.0 m-20 -54.55 -56.02 23.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -72.01 -27.39 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.7 -39.88 95.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.512 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 41.0 t80 -76.67 -40.47 48.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.565 ' CH2' HD13 ' A' ' 23' ' ' LEU . 81.6 t90 -64.07 -44.75 91.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.0 mt -58.5 -56.07 26.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.33 -51.14 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.0 m -45.86 -63.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -50.43 -50.05 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -52.98 -40.83 64.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -57.45 -54.88 41.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.4 ptpt -62.98 -31.55 72.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 25.1 mtmt -59.65 -26.82 65.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.0 mtm -75.18 135.19 41.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -97.0 -40.28 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.89 134.76 55.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -69.23 -59.06 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 m -38.2 -62.57 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -48.31 -37.68 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mtt -72.05 -39.91 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -48.75 -44.43 38.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.55 -61.85 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' ALA . 38.1 tptt -42.18 -49.98 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' LYS . . . -33.25 -68.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -66.61 -33.33 75.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.57 -58.02 6.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.3 mt -63.98 -34.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 2.3 t80 -59.35 -39.5 83.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.471 ' HE3' ' CE1' ' A' ' 71' ' ' TYR . 6.0 mmt -87.6 15.77 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.698 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 57.4 m -98.01 -58.65 1.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.698 ' CE1' ' CG2' ' A' ' 73' ' ' THR . 1.2 m-85 -118.0 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 15.9 mt -64.72 -31.59 72.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.94 169.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.832 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 m -84.21 -45.78 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 13.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 73' ' ' THR . . . -52.14 113.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 t -62.92 -30.29 71.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.409 ' HB3' ' CD ' ' A' ' 43' ' ' GLU . 2.1 m -131.55 102.16 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -100.37 132.69 45.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.2 m -91.98 163.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -82.34 110.29 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.531 ' CG2' ' NE2' ' A' ' 88' ' ' GLN . 4.3 m -118.05 -36.27 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 52.08 47.25 25.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.66 58.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.531 ' NE2' ' CG2' ' A' ' 85' ' ' VAL . 6.1 pm0 -117.91 -30.7 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' ARG . 6.1 m -40.08 -33.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' SER . 26.5 mtt85 -38.07 -32.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.564 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 1.4 pp -70.34 173.71 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.501 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 3.7 t-20 -162.1 160.02 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -45.95 -33.29 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -58.86 -36.93 75.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 2.9 tt -47.02 -23.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' GLU . 35.0 mt -76.07 -34.88 59.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LEU . 41.6 mt-10 -34.77 -67.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -102.71 102.03 24.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 121.23 7.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.375 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.4 OUTLIER -147.35 147.44 28.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.561 0.696 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 14.17 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 100' ' ' HIS . 3.5 mt -113.48 -10.32 13.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.577 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 10.3 ptm -60.56 -43.42 97.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 105' ' ' GLN . 17.9 m-85 -100.01 -30.93 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -33.4 -47.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -57.58 -56.93 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 88' ' ' GLN . 22.1 mt -58.87 -48.13 82.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -43.97 -57.27 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -44.51 -28.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.401 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 8.7 mm-40 -73.01 -49.08 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.7 mm -63.26 -41.8 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.411 ' CE1' HD21 ' A' ' 19' ' ' LEU . 45.2 t80 -48.82 -56.46 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 114' ' ' LEU . 2.5 p30 -63.28 -49.32 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.461 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 4.0 tp -40.89 -51.0 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 60.9 mtm -80.51 -56.02 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -45.66 -22.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -82.81 -63.67 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 119' ' ' SER . 5.5 m-20 -93.66 -68.3 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 118' ' ' ASP . 1.7 t -32.41 -69.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 123' ' ' PHE . 23.5 t80 -44.19 -68.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.3 t -41.51 -41.86 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.79 -35.03 74.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 120' ' ' TYR . 67.9 t80 -54.96 -56.62 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.36 -52.02 67.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -58.45 -33.69 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.9 m -62.33 175.31 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 129' ' ' PHE . 1.7 m-20 -90.55 -39.89 12.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 127' ' ' ASP . 3.3 mt -36.09 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 127' ' ' ASP . 9.7 t80 -95.01 -68.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 129' ' ' PHE . 20.0 mt -37.29 -40.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' LEU . 23.0 tttm -35.68 -66.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 133' ' ' LYS . 10.2 t60 -56.85 -47.96 79.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 132' ' ' HIS . 14.8 ttpp -35.62 -55.42 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -75.02 -32.87 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 132' ' ' HIS . 0.2 OUTLIER -107.14 104.68 14.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -165.61 165.75 18.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.87 0.76 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -138.07 150.31 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -106.18 153.49 22.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -130.3 102.2 6.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.69 2.92 50.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 42.8 mt -75.21 150.33 85.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 115.24 3.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.8 p -80.52 -11.12 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 78.25 100.74 0.21 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 126.12 12.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 68.7 p -84.68 -57.6 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 95.8 p -124.5 177.3 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m 62.32 42.3 9.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 p -82.05 150.44 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.2 -157.2 53.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 m -63.77 164.89 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 p -149.68 154.51 38.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.94 118.45 1.55 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 m -74.56 -38.24 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 110.883 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mt -44.7 -57.29 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -69.01 127.79 34.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 m -94.89 -46.08 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.478 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 70.9 p -45.95 -50.41 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.36 -56.39 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -48.15 -53.37 16.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.478 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 8.8 m0 -58.85 -45.51 89.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.55 92.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.99 -51.72 49.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -161.52 164.38 29.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 61.2 tp -61.91 -46.14 90.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.76 -62.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.419 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 19.2 m-20 -42.01 -32.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 6.6 tp -74.64 -56.36 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.2 mt -57.54 -46.77 83.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -59.38 -43.05 92.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 3.8 t70 -80.64 140.93 51.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.576 0.703 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -51.3 -40.48 59.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.59 -49.65 71.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.3 t -56.58 -48.54 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -49.26 64.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -66.77 -46.2 76.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CD2' HD11 ' A' ' 36' ' ' LEU . 6.9 t80 -54.24 -55.43 28.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 -42.25 -55.7 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -45.57 -61.14 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -50.35 -55.8 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 32' ' ' PHE . 94.9 mt -44.61 -55.98 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' LEU . 14.2 tmtt? -34.57 -44.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -44.28 -59.78 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -90.28 17.87 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 56.71 43.09 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.42 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.0 m -108.28 17.8 21.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.477 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 35.8 tt0 -64.77 -51.24 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 2.1 pm0 -53.15 -38.25 62.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -40.24 -53.11 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 42' ' ' GLU . 11.3 m -70.39 -35.89 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 79.7 mt -57.08 -36.89 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 25.3 t80 -80.58 -38.19 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.569 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 80.8 t90 -61.11 -45.93 92.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.98 -51.38 62.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.76 -41.45 6.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -54.51 -61.61 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -57.68 -35.5 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -73.81 -25.02 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.415 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 37.2 t80 -74.94 -29.31 60.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.43 -29.67 20.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 53' ' ' ASP . 10.3 ptmt -60.81 -35.66 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.39 137.89 58.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.1 -44.03 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 129.06 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -66.21 -48.31 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.5 m -46.6 -56.89 5.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -50.03 -36.08 27.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.415 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 6.3 mtp -70.25 -45.13 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -40.62 -49.01 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' LYS . 22.2 mt-10 -70.27 -68.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' GLU . 25.0 tptt -36.16 -35.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . -53.47 -70.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.535 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.78 -31.56 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.535 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 3.1 tt0 -54.87 -36.78 65.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.2 mt -85.97 -47.59 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.531 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.5 t80 -54.76 -43.36 72.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.439 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 11.2 mmt -72.73 2.6 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.537 HG22 ' CZ ' ' A' ' 74' ' ' PHE . 26.2 m -96.33 -67.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -106.24 -32.78 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 71' ' ' TYR . 17.5 mt -76.55 17.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.439 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -129.68 135.53 48.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -43.12 -68.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -65.63 102.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' HB2' ' OE1' ' A' ' 82' ' ' GLN . . . -155.37 124.66 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.8 t -61.04 -37.76 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -130.41 106.82 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.402 ' OE1' ' HB2' ' A' ' 79' ' ' ALA . 4.8 mt-30 -110.68 154.95 23.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.91 170.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.84 113.91 25.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.5 m -157.06 136.34 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 87' ' ' GLY . 52.2 mt-10 -81.39 121.75 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 86' ' ' GLU . . . 31.15 48.53 0.2 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.463 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 38.9 tp60 -117.15 -32.79 4.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -79.86 12.13 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -81.59 16.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.1 mt -54.56 153.31 5.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.499 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 68.9 m-20 -99.06 179.25 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -88.92 -20.69 24.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -30.59 69.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 2.3 tt -60.76 -42.29 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 97' ' ' GLU . 24.3 mt -50.83 -34.87 29.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 96' ' ' LEU . 73.5 mt-10 -32.64 -64.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -110.98 102.16 51.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 133.06 24.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.357 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -150.96 148.37 22.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 110.839 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 10.21 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 8.3 mt -112.4 17.28 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.585 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 10.6 ptm -95.72 -41.24 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.3 m-85 -103.74 -33.27 8.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -38.69 -47.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -60.35 -53.53 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 88' ' ' GLN . 17.3 mt -55.53 -41.05 72.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.569 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 37.5 tt0 -48.87 -30.53 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.02 -62.3 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 17.9 pt20 -58.11 -37.56 74.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.476 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 42.2 mm -63.79 -44.97 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -56.25 -52.4 64.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.543 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 3.4 m-20 -67.28 -49.1 65.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 113' ' ' ASN . 15.1 tp -37.18 -48.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.459 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 33.7 mtm -81.74 -61.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -40.56 -27.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 5.0 m-85 -73.68 -68.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 119' ' ' SER . 36.1 t0 -95.16 -68.3 0.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 118' ' ' ASP . 70.7 m -32.11 -63.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -54.81 -62.55 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.8 t -40.67 -57.23 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 123' ' ' PHE . 54.7 mmt-85 -53.16 -51.46 61.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 122' ' ' ARG . 15.2 t80 -34.09 -60.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 97.1 mt -47.08 -54.72 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -56.72 -41.95 78.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.6 m -55.27 141.56 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.9 m-20 -56.89 -40.31 75.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.4 mt -35.51 -41.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -89.96 -51.84 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 131' ' ' LYS . 16.7 mt -55.7 -60.33 3.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 130' ' ' LEU . 19.9 ttpp -34.04 -59.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.418 ' O ' ' CG2' ' A' ' 135' ' ' THR . 6.6 t60 -51.98 -61.07 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -45.87 -40.02 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 135' ' ' THR . 8.5 ttp85 -42.48 -41.97 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.418 ' CG2' ' O ' ' A' ' 132' ' ' HIS . 9.2 t -37.57 -37.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -101.88 153.79 19.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -88.82 128.29 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.27 156.05 26.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -82.62 178.02 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -89.93 114.72 26.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.42 -1.58 55.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.24 152.03 88.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.699 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.19 69.26 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.645 2.23 . . . . 0.0 112.359 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 99.9 p -111.83 163.02 14.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 119.38 107.9 2.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.48 18.85 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.9 p -97.41 -43.93 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.6 m -154.98 118.54 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.465 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -75.49 -41.28 55.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t -93.67 137.67 32.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.815 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.86 63.12 2.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 p -73.63 -53.07 11.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.0 p -65.9 158.31 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.22 -95.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.6 p -126.15 113.88 17.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.4 . . . . 0.0 110.824 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -71.17 131.18 43.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.61 177.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.551 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 13.0 m -95.3 -67.26 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.565 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 58.8 p -44.37 -34.78 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.08 -50.2 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HG2' ' CD1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -69.07 -26.57 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 29.2 m0 -70.05 -53.25 18.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.32 -43.11 92.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.89 -50.96 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 m -164.23 152.69 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 112' ' ' PHE . 53.0 tp -59.05 -47.36 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -42.97 -55.27 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' OD2' ' A' ' 25' ' ' ASP . 29.8 m-20 -49.0 -51.15 32.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 4.2 tp -61.3 -28.67 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 HD11 ' CH2' ' A' ' 48' ' ' TRP . 49.3 mt -75.47 -34.58 60.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.23 -56.23 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 22' ' ' LEU . 1.2 p30 -56.6 127.88 73.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -24.39 29.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 28' ' ' GLY . 16.9 pm0 -82.73 -25.92 32.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -81.02 -36.56 21.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.8 t -72.54 -43.66 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 111.081 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' HE2' ' CZ ' ' A' ' 31' ' ' ARG . 11.2 ptmt -45.23 -40.12 7.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.475 ' CZ ' ' HE2' ' A' ' 30' ' ' LYS . 4.3 mmt-85 -74.98 -60.77 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CE2' HD11 ' A' ' 36' ' ' LEU . 1.9 t80 -33.78 -60.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' PHE . 41.9 mtp180 -37.88 -52.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -44.27 -68.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -50.16 -60.36 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 32' ' ' PHE . 48.8 mt -40.34 -58.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -35.23 -50.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -46.31 -59.85 2.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -82.11 14.96 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 57.95 47.38 15.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.505 ' HG ' ' ND2' ' A' ' 44' ' ' ASN . 4.5 t -114.84 -5.67 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -53.03 -40.8 64.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.8 OUTLIER -64.03 -24.83 67.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.505 ' ND2' ' HG ' ' A' ' 41' ' ' SER . 3.7 m-20 -56.97 -60.28 3.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.26 -28.19 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -57.59 -36.57 71.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.481 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 19.0 t80 -80.17 -43.41 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.557 ' CH2' HD11 ' A' ' 23' ' ' LEU . 84.9 t90 -57.22 -56.12 25.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.0 mt -44.03 -47.26 8.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 70' ' ' ILE . . . -55.23 -46.54 75.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.0 m -45.57 -58.79 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.33 -63.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.77 -38.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -60.49 -60.38 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 14.3 ptpt -59.03 -30.03 67.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 32.7 mtmt -63.83 -38.74 92.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 69.5 mtm -59.45 127.68 33.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -87.02 -45.21 10.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.64 122.22 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -66.35 -49.27 67.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.0 m -44.02 -59.8 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -49.31 -47.17 47.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLN . 25.1 mtp -54.53 -52.34 62.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' MET . 80.9 mt-30 -37.97 -42.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.22 -66.97 0.62 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -40.83 -34.56 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.13 -67.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -62.97 -32.3 73.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -52.56 -66.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.402 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 34.9 mt -57.06 -37.84 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.533 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.7 t80 -61.69 -41.32 97.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.4 mmt -75.94 6.67 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.58 HG22 ' CE1' ' A' ' 74' ' ' PHE . 78.3 m -97.97 -68.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.58 ' CE1' HG22 ' A' ' 73' ' ' THR . 0.5 OUTLIER -108.75 -28.86 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 104' ' ' PHE . 12.3 mt -77.79 14.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -124.9 161.95 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.8 m -75.96 156.57 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.5 tttm 54.82 39.08 31.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -74.36 116.07 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ALA . 59.6 m -34.61 -51.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.441 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.0 m -125.58 104.64 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -97.37 162.32 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.1 m -114.08 177.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -104.2 104.94 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 34.9 m -139.45 168.93 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -129.57 119.43 23.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.0 43.42 10.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -95.37 -50.12 5.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.492 ' N ' ' CD ' ' A' ' 88' ' ' GLN . 2.2 m -38.0 -27.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 88' ' ' GLN . 8.4 ttt180 -37.0 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.525 HD11 ' CE2' ' A' ' 71' ' ' TYR . 3.5 pp -70.41 175.2 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' GLU . 68.2 m-20 -168.41 158.0 9.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' ASN . 27.1 mt-10 -36.6 -38.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -51.15 -47.62 62.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.486 HG21 ' N ' ' A' ' 96' ' ' LEU . 7.3 tt -43.06 -26.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.486 ' N ' HG21 ' A' ' 95' ' ' ILE . 38.4 mt -74.23 -38.06 63.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 8.5 mt-10 -34.04 -66.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 8.0 mm-40 -105.51 101.99 35.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.7 131.9 22.31 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.36 149.66 18.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 10.62 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.297 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 100' ' ' HIS . 6.1 mt -106.06 -14.14 15.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.546 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 10.2 ptm -65.17 -42.38 93.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE1' HD12 ' A' ' 75' ' ' LEU . 5.4 m-85 -110.6 17.8 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.48 -44.17 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -73.08 -49.24 29.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.405 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 14.2 mt -53.95 -30.44 46.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.485 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 10.8 tt0 -71.48 -31.43 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.06 -65.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 107' ' ' LEU . 8.2 pt20 -44.84 -48.22 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.466 HD13 ' CG1' ' A' ' 85' ' ' VAL . 27.5 mm -63.48 -41.31 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.453 ' CD1' HD21 ' A' ' 19' ' ' LEU . 44.5 t80 -56.93 -63.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -62.09 -30.4 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.66 -68.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 120' ' ' TYR . 29.3 mtm -61.96 -27.43 68.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -56.19 -31.53 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -117.23 -18.17 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.08 -67.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 120' ' ' TYR . 5.4 p -97.47 -59.08 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 115' ' ' MET . 61.4 t80 -32.77 -53.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -49.7 -50.85 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 125' ' ' LYS . 1.9 mpt_? -68.25 -62.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 122' ' ' ARG . 36.7 t80 -34.79 -34.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 122' ' ' ARG . 25.5 mt -68.05 -48.68 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 122' ' ' ARG . 15.9 pttm -66.59 -34.48 77.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.8 p -57.75 177.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 128' ' ' LEU . 21.2 p-10 -83.16 -42.83 16.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.0 tp -34.15 -38.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -90.9 -66.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 131' ' ' LYS . 78.6 mt -42.66 -53.99 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -33.97 -61.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.428 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 4.8 t60 -41.72 -63.92 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' HIS . 23.0 mttp -36.3 -33.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 132' ' ' HIS . 6.6 tpp180 -56.16 -64.73 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 136' ' ' GLU . 11.3 t -46.1 -24.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.474 ' N ' HG22 ' A' ' 135' ' ' THR . 92.0 mt-10 -89.72 169.84 10.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -98.05 142.04 30.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -111.65 137.51 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 142' ' ' LEU . 1.2 pm0 -70.18 172.16 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -90.84 170.81 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 58.76 32.05 21.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.406 ' CD2' ' HG2' ' A' ' 139' ' ' GLU . 18.4 mt -59.63 139.86 89.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 88.9 p -141.23 129.22 21.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -135.32 146.44 18.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.82 3.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.301 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 64.5 p -51.27 -58.53 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.8 t -64.31 136.16 56.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -45.97 -44.44 14.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 110.823 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -144.39 150.48 37.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.38 92.51 0.37 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -57.71 108.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -71.97 172.37 10.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.4 -121.32 1.01 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 t 67.58 42.13 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.871 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 164.51 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -97.4 133.24 42.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.473 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 68.6 m -57.79 -54.86 42.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.433 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 42.7 p -41.15 -56.25 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.14 -44.35 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -63.06 -58.04 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.473 ' CZ2' ' HB3' ' A' ' 11' ' ' SER . 10.5 m0 -51.52 -40.87 60.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.79 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -48.85 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.6 p -168.13 160.45 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 22' ' ' LEU . 32.0 tp -60.53 -44.95 95.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -42.11 -47.29 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 15.8 m-20 -60.32 -32.87 71.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD23 ' CG ' ' A' ' 32' ' ' PHE . 4.6 tp -73.41 -44.45 58.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.6 mt -68.13 -46.58 70.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 3.0 pp20? -60.62 -45.81 92.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.19 139.03 87.16 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -43.5 2.66 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -60.97 -40.5 93.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.405 ' CA ' HD11 ' A' ' 22' ' ' LEU . . . -61.66 -58.17 14.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -43.53 -52.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -49.14 -49.83 40.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -65.3 -50.54 65.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 36' ' ' LEU . 9.8 t80 -49.42 -58.64 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH2' ' OE2' ' A' ' 42' ' ' GLU . 29.8 mtp-105 -44.35 -59.19 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -40.47 -57.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -52.97 -58.38 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 32' ' ' PHE . 41.0 mt -48.72 -56.33 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' LEU . 7.1 ttpt -32.43 -47.6 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -45.74 -59.81 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -84.58 16.3 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 53.35 43.61 31.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.42 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.8 m -117.92 17.62 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 37.8 tt0 -64.35 -55.05 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 1.0 OUTLIER -42.25 -34.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 47.9 m-20 -44.94 -40.97 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 42' ' ' GLU . 16.1 m -82.65 -32.86 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' N ' HG21 ' A' ' 45' ' ' VAL . 25.7 mt -56.64 -39.73 74.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 14.0 t80 -76.98 -42.21 39.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -61.45 -57.09 13.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mt -47.01 -51.2 17.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.21 -37.77 55.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 47' ' ' PHE . 51.7 m -57.53 -59.91 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 5.4 pt-20 -63.35 -31.56 72.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -74.94 -30.63 61.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -71.39 -28.94 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -91.18 -29.93 16.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -59.74 -35.57 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.1 mtm -60.13 159.62 9.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -115.88 -37.63 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.96 132.2 52.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -75.01 -45.38 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.5 m -55.77 -58.83 6.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -44.3 -41.18 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 mtp -61.7 -42.47 98.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -51.88 -45.58 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.98 -61.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -50.11 -33.23 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.53 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -64.0 -36.4 83.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.13 -64.09 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.2 mt -58.25 -39.18 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.55 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.3 t80 -58.51 -49.04 78.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.411 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 21.9 mtp -66.5 -5.9 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.401 HG23 ' CE1' ' A' ' 74' ' ' PHE . 18.2 m -82.59 -67.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 1.3 m-85 -111.1 -31.78 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 23.1 mt -73.14 17.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.512 ' H ' ' C ' ' A' ' 74' ' ' PHE . 37.3 t -120.35 158.34 27.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 t -79.05 144.3 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 59.51 41.47 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.01 136.89 46.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -48.51 -53.71 17.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.467 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.4 m -121.85 102.8 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -101.99 125.4 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.03 178.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -114.74 112.2 22.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 22.4 m -157.47 175.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -93.18 -61.66 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -115.3 104.8 1.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -140.45 178.04 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.0 t 67.92 35.56 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -82.65 17.95 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.4 161.31 20.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.476 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 6.5 m120 -127.45 158.37 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -36.66 -43.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 97' ' ' GLU . 1.3 mptp? -46.38 -44.36 16.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' A' ' 92' ' ' ASN . 10.4 tt -41.56 -29.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.456 HD23 ' CB ' ' A' ' 71' ' ' TYR . 59.6 mt -67.89 -39.99 83.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' LEU . 30.3 mt-10 -34.85 -60.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -114.45 101.99 54.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.07 49.78 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.512 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.81 146.78 14.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 19.02 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 100' ' ' HIS . 11.1 mt -111.63 -23.3 10.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.59 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 7.9 ptm -56.86 -47.0 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.59 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.9 m-85 -101.1 17.9 21.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -80.52 -58.07 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -61.24 -59.98 4.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.0 mt -46.83 -37.65 9.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.91 -34.88 79.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -59.87 -64.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -48.21 -50.29 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.74 -44.78 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -50.31 -47.82 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.57 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 68.0 m-80 -71.13 -45.41 63.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.6 tp -39.22 -49.84 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.486 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 29.1 mtm -82.72 -56.76 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 9.5 tttm -45.63 -23.75 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 3.4 m-85 -78.33 -67.56 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 119' ' ' SER . 1.0 OUTLIER -93.77 -67.01 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.486 ' HB2' ' CA ' ' A' ' 115' ' ' MET . 37.2 m -32.03 -70.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -39.8 -51.73 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 m -59.78 -46.75 88.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -59.42 -40.76 87.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.45 ' CE2' HD12 ' A' ' 22' ' ' LEU . 43.3 t80 -58.37 -59.99 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.6 mt -44.21 -43.53 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.67 -43.57 79.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.0 p -54.88 145.98 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 128' ' ' LEU . 5.1 p-10 -58.01 -43.0 86.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.8 mt -33.32 -41.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.564 ' CZ ' ' HD2' ' A' ' 133' ' ' LYS . 38.3 t80 -84.09 -61.91 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 43.1 mt -42.58 -55.28 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 12.8 tttp -34.29 -62.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.414 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 2.5 t60 -46.06 -51.71 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 18.3 mtpp -53.71 -46.61 70.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -64.5 -59.17 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.8 m -49.48 -50.12 42.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -66.44 174.98 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 51.93 32.09 9.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -58.45 164.88 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -87.93 163.53 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -112.17 17.67 19.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.86 -2.82 7.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.28 154.07 64.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.579 0.704 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -40.24 5.54 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.0 m -94.16 125.15 38.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 150.14 150.05 5.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 177.88 5.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.6 m -64.9 172.1 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 91.9 p -148.51 166.5 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -80.99 -60.81 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -56.57 -45.78 81.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.23 -116.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 p -104.39 166.27 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -72.95 -56.48 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.26 -162.07 12.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.6 p -90.49 -38.9 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.559 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -89.66 156.19 18.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -107.95 157.14 18.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -87.97 -50.0 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -55.38 -31.55 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.0 81.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -59.14 -44.15 92.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -61.21 -45.86 92.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.13 83.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.17 -59.27 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -148.39 142.47 25.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD23 ' CE1' ' A' ' 112' ' ' PHE . 37.7 tp -49.04 -46.97 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -45.81 -53.78 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -44.37 -36.58 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.467 HD12 ' CA ' ' A' ' 28' ' ' GLY . 5.2 tp -71.44 -55.19 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 mt -54.91 -46.72 74.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 18.5 pt-20 -63.04 -41.63 99.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.3 m-20 -72.05 137.89 82.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.45 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -55.89 -37.28 68.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.467 ' CA ' HD12 ' A' ' 22' ' ' LEU . . . -66.11 -60.71 6.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -42.58 -41.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -64.06 -61.28 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -51.46 -46.59 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.436 ' CD2' HD12 ' A' ' 36' ' ' LEU . 3.5 t80 -53.53 -60.1 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -44.42 -45.93 9.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -48.82 -59.79 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -60.96 -41.19 95.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 HD12 ' CD2' ' A' ' 32' ' ' PHE . 45.2 mt -54.48 -38.5 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -53.4 -38.08 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -43.35 -46.84 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.89 9.78 32.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 63.27 44.09 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -111.05 17.22 20.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 34.7 tt0 -65.03 -31.69 73.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -63.31 -33.9 76.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -45.68 -44.4 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 46' ' ' LEU . 18.0 m -78.73 -33.47 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.452 ' N ' HG23 ' A' ' 45' ' ' VAL . 29.8 mt -56.19 -34.16 65.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.578 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 36.2 t80 -79.2 -50.3 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.408 ' CH2' ' OE1' ' A' ' 52' ' ' GLU . 87.9 t90 -52.28 -47.84 65.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.71 -47.82 84.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.35 -46.7 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.7 m -52.92 -51.32 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' OE1' ' CH2' ' A' ' 48' ' ' TRP . 27.3 mt-10 -60.81 -55.02 38.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.83 -18.91 9.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CE2' ' SD ' ' A' ' 103' ' ' MET . 49.2 t80 -82.13 -42.41 19.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -84.41 -20.23 32.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -68.87 -39.83 79.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ptp -76.15 152.5 36.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.71 10.03 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.68 118.35 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -61.87 -58.68 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.9 m -41.56 -57.91 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -54.57 -43.12 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.9 mtp -59.74 -42.46 93.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -44.7 -50.59 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' LYS . 8.5 mt-10 -72.09 -68.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 7.6 tptp -35.81 -40.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.78 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -70.06 -38.87 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -48.3 -34.52 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.41 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 77.7 mt -86.09 -46.75 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 2.9 t80 -57.51 -30.79 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.8 mmt -86.65 5.97 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.571 HG23 ' CZ ' ' A' ' 74' ' ' PHE . 17.8 m -97.96 -56.73 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 1.5 m-85 -117.89 -32.17 4.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 104' ' ' PHE . 19.3 mt -79.48 15.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -119.28 150.15 40.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.8 m -75.63 152.19 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? 54.16 43.56 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.69 130.39 37.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.7 t -45.52 -53.79 8.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -117.33 102.83 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -113.2 125.1 53.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.35 142.05 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.91 115.98 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.6 m -149.77 122.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.35 120.62 21.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.58 84.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.44 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -54.82 161.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 91' ' ' LEU . 72.9 m -68.63 173.78 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -76.38 15.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 89' ' ' SER . 52.4 mt -51.98 143.43 13.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -137.78 164.27 29.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -57.43 -23.85 52.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -58.22 -37.02 74.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 103' ' ' MET . 16.1 tt -52.25 -23.8 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.415 HD13 ' CB ' ' A' ' 68' ' ' LYS . 16.0 mt -67.19 -29.25 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -52.59 -42.07 64.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 43.3 mt-10 -126.47 102.38 26.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.74 128.81 16.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.558 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -151.86 148.4 21.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 110.893 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.7 4.18 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.636 2.224 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.452 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 6.0 mt -103.56 17.87 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.561 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 7.0 ptm -88.34 -45.87 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.574 ' CE1' HD12 ' A' ' 75' ' ' LEU . 2.8 m-85 -109.37 16.85 22.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -63.15 -41.15 99.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 106' ' ' LYS . 2.2 mppt? -75.8 -53.47 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.404 ' CD1' HD13 ' A' ' 91' ' ' LEU . 7.1 mt -51.88 -31.61 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.23 -27.63 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -74.06 -66.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -43.7 -43.95 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.6 mm -67.43 -39.91 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.452 ' CE1' HD23 ' A' ' 19' ' ' LEU . 30.6 t80 -58.72 -61.02 2.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -64.57 -30.47 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 22.8 tp -50.88 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' TYR . 34.8 mtm -65.38 -26.45 68.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -56.08 -31.16 62.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -117.97 -13.92 10.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.406 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 1.0 OUTLIER -89.99 -68.74 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 122' ' ' ARG . 64.5 m -90.78 -60.45 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 115' ' ' MET . 56.5 t80 -32.15 -46.72 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 m -63.72 -47.48 80.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -69.72 -61.08 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 129' ' ' PHE . 25.4 t80 -34.78 -32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.541 HD22 ' CE2' ' A' ' 129' ' ' PHE . 64.8 mt -70.57 -62.8 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -42.78 -37.13 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.4 t -56.98 177.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 128' ' ' LEU . 10.5 m-20 -97.71 -38.61 9.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.7 tt -34.16 -41.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 123' ' ' PHE . 2.4 t80 -92.3 -57.37 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.3 mt -53.7 -58.53 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 127' ' ' ASP . 0.5 OUTLIER -44.83 -30.32 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -78.05 -45.02 24.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -28.51 67.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 135' ' ' THR . 0.2 OUTLIER -80.34 -67.56 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 134' ' ' ARG . 13.0 t -34.17 -39.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -53.7 -58.1 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -62.61 152.64 34.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -145.16 121.69 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.63 -19.79 54.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.86 163.2 17.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -110.8 5.85 20.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.423 HD13 ' C ' ' A' ' 142' ' ' LEU . 4.1 pp -99.1 153.5 37.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.562 0.696 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 129.49 17.7 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 79.4 p -80.08 -38.58 31.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 71.39 -121.27 8.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 136.62 33.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.5 p -62.27 -61.45 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.6 t 64.46 42.4 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -136.7 170.18 16.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -142.32 120.28 12.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.53 103.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -107.35 136.51 47.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -152.33 149.12 28.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.97 -90.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -90.8 153.6 20.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 HD11 ' N ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -52.71 141.38 21.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.475 ' N ' HD11 ' A' ' 9' ' ' LEU . 38.4 mmtt -78.74 178.28 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 37.3 p -83.46 -49.9 8.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.799 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.426 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 37.1 p -38.96 -53.35 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.51 -44.28 68.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -60.52 -46.96 88.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 18.8 m0 -61.63 -50.91 70.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.29 -40.92 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.04 -54.62 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t -157.59 152.7 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.427 HD22 ' CE1' ' A' ' 112' ' ' PHE . 39.4 tp -60.11 -41.01 91.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -47.23 -41.91 19.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -64.07 -35.68 81.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.54 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 5.8 tp -73.22 -50.12 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 31.5 mt -64.3 -45.57 87.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -61.33 -36.12 79.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 9.7 m-20 -87.27 142.76 33.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.84 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -51.52 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -46.19 -44.3 15.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.59 -61.98 6.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -42.65 -47.79 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -51.23 -53.06 38.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -65.38 -48.27 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.06 -45.96 64.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -54.59 -59.56 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -40.54 -54.0 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' A' ' 122' ' ' ARG . 83.1 t80 -56.09 -64.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 69.9 mt -45.82 -59.02 3.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LEU . 1.1 tmmt? -36.4 -41.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -46.9 -49.32 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.59 17.93 19.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 60.52 38.71 18.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.792 ' HG ' ' ND2' ' A' ' 44' ' ' ASN . 27.0 t -102.62 -13.92 16.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 44' ' ' ASN . 12.6 tt0 -43.03 -58.06 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' GLU . 3.8 pt-20 -35.04 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.792 ' ND2' ' HG ' ' A' ' 41' ' ' SER . 42.6 m-20 -52.76 -66.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.2 m -57.03 -39.51 66.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 81.9 mt -47.39 -38.8 13.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 4.3 t80 -79.68 -42.23 25.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 85.9 t90 -58.46 -47.35 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.4 mt -57.22 -55.51 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.51 -45.05 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.3 m -47.67 -56.05 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -66.85 -63.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.9 -39.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -57.97 -62.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.5 ptpt -56.39 -34.38 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 21.4 mtmm -60.77 -45.38 94.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 56' ' ' LYS . 14.6 mtm -34.41 -41.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 54.69 40.48 31.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -141.63 128.99 21.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -63.17 -61.19 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.2 m -47.81 -61.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -49.13 -40.57 33.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 mtt -66.69 -42.31 86.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -49.38 -38.57 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -81.48 -67.53 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -41.25 -41.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -41.27 -67.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 1.2 ptmm? -63.79 -35.84 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -50.92 -61.72 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.3 mt -57.94 -40.73 77.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.547 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.4 t80 -55.9 -51.02 69.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.1 mmm -69.44 -5.7 25.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.56 HG23 ' CE2' ' A' ' 74' ' ' PHE . 9.0 m -79.55 -63.07 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 73' ' ' THR . 1.7 m-85 -117.98 -30.96 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 71' ' ' TYR . 28.7 mt -75.13 18.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 74' ' ' PHE . 3.8 t -107.49 165.31 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.4 p -80.62 -52.2 7.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -80.56 17.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.99 111.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.7 p -52.39 -33.51 43.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.407 ' HB3' ' CD ' ' A' ' 43' ' ' GLU . 3.1 m -125.59 104.4 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -110.37 147.69 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -104.81 165.51 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -85.6 129.26 34.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.492 ' CG2' ' HB3' ' A' ' 88' ' ' GLN . 2.4 m -143.58 170.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 8.1 pt-20 -111.54 -36.52 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -145.68 46.1 0.79 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.492 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 0.7 OUTLIER -96.06 -63.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLN . 3.3 t -36.8 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 88' ' ' GLN . 65.3 mtt180 -36.93 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.452 ' C ' HD11 ' A' ' 91' ' ' LEU . 4.0 pp -61.09 174.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 95' ' ' ILE . 15.1 t-20 -165.87 166.35 17.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 92' ' ' ASN . 38.3 mt-10 -32.99 -37.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' ASN . 5.1 mmmm -53.06 -48.71 67.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.489 HG21 ' N ' ' A' ' 96' ' ' LEU . 8.4 tt -44.89 -23.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.489 ' N ' HG21 ' A' ' 95' ' ' ILE . 51.8 mt -77.86 -35.31 51.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 96' ' ' LEU . 18.2 mt-10 -32.06 -64.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 31.7 mt-10 -113.81 102.0 54.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.68 0.752 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.78 133.58 25.88 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.511 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -152.96 148.74 20.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.84 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.433 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.4 Cg_endo -69.76 19.48 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.5 mt -115.58 -29.04 6.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.511 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 8.7 ptm -44.96 -43.13 8.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 105' ' ' GLN . 10.5 m-85 -100.75 -29.38 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 104' ' ' PHE . 18.5 tt0 -31.98 -44.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 106' ' ' LYS . 8.4 mptt -75.4 -49.73 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' PHE . 31.9 mt -55.04 -34.05 63.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.571 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 30.3 tt0 -65.43 -30.94 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.0 -67.1 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -46.15 -51.12 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.3 mm -61.9 -41.4 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.427 ' CE1' HD22 ' A' ' 19' ' ' LEU . 68.0 t80 -56.94 -62.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 67.1 m-80 -55.94 -43.56 77.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 118' ' ' ASP . 12.6 tp -42.1 -72.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.42 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 55.7 mtm -52.54 -29.99 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 113' ' ' ASN . 17.5 ttpt -47.85 -48.03 31.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.451 ' CE1' ' O ' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -115.47 3.87 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 114' ' ' LEU . 2.4 t0 -98.02 -63.7 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 121' ' ' SER . 14.1 m -97.68 -62.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.454 ' C ' ' O ' ' A' ' 119' ' ' SER . 74.9 t80 -32.92 -35.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 119' ' ' SER . 34.2 t -60.63 -61.78 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 11.5 ptp180 -68.17 -31.25 70.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -54.95 -35.5 64.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.39 -55.31 6.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -57.17 -35.23 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.6 p -54.44 163.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.5 m-20 -76.35 -41.16 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 127' ' ' ASP . 8.8 tp -33.99 -36.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 127' ' ' ASP . 32.6 t80 -96.06 -64.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 131' ' ' LYS . 25.5 mt -40.68 -50.98 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -33.99 -58.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 133' ' ' LYS . 8.4 t60 -65.63 -56.05 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 132' ' ' HIS . 2.0 ttpm? -36.24 -36.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -44.27 -56.36 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 4.4 t -43.25 -38.46 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.52 172.3 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -148.34 112.96 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -95.28 154.08 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -106.23 169.36 8.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -82.41 18.04 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.7 t70 53.29 32.16 13.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 144' ' ' SER . 1.1 mp -60.84 153.68 62.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 11.44 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 142' ' ' LEU . 1.8 m -77.3 -53.36 7.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -85.8 151.57 25.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.39 30.39 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.7 t -122.9 130.43 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 10.7 t -72.78 -46.95 50.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -104.37 150.11 24.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.819 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -80.21 174.55 11.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.9 -120.88 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -147.05 136.53 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -66.96 -54.11 25.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.44 -48.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.1 t -106.51 108.9 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.39 . . . . 0.0 110.885 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.57 155.69 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -59.51 123.77 17.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.4 p -59.6 -52.51 65.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.4 p -47.01 -32.72 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -46.68 66.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -57.56 -41.42 80.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.499 ' N ' ' CD1' ' A' ' 15' ' ' TRP . 9.9 m0 -62.46 -62.1 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.76 -33.66 10.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.59 -49.25 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.7 m -164.32 164.48 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.79 -45.83 84.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 23' ' ' LEU . 48.0 mt-10 -45.75 -65.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -38.47 -45.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.486 HD23 ' CD1' ' A' ' 32' ' ' PHE . 6.0 tp -62.97 -44.37 96.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD12 ' CH2' ' A' ' 48' ' ' TRP . 38.2 mt -64.23 -43.67 94.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -56.13 11.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 12.2 t70 -53.47 139.88 47.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.638 0.732 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.8 Cg_endo -69.8 -42.84 3.02 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.45 -41.78 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.78 -41.32 97.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 94.9 t -66.16 -41.84 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.118 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -50.2 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.4 mpt_? -51.63 -50.1 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.486 ' CD1' HD23 ' A' ' 22' ' ' LEU . 2.1 t80 -41.52 -44.6 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -73.41 -33.7 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' ARG . 71.1 mm-40 -66.32 -45.09 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -40.25 63.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.17 -52.13 65.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -47.81 -37.24 13.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -53.03 -47.77 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -93.4 11.08 29.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 57.83 38.27 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.5 m -114.38 16.82 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.06 -31.24 68.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 4.6 pt-20 -54.38 -20.43 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -63.62 -60.74 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.451 HG21 ' N ' ' A' ' 46' ' ' LEU . 23.2 m -66.33 -45.11 90.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.451 ' N ' HG21 ' A' ' 45' ' ' VAL . 16.9 mt -41.85 -37.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -80.44 -35.21 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CH2' HD12 ' A' ' 23' ' ' LEU . 88.6 t90 -65.23 -52.16 56.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.72 -55.11 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.65 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.2 m -47.73 -62.73 1.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.05 -55.91 17.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -46.86 -42.45 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -56.68 -57.12 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 15.2 ptpt -61.68 -29.2 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 16.8 mtmm -63.19 -33.96 76.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.1 mtm -71.52 126.77 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -84.91 -50.03 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -52.68 128.27 25.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -54.42 12.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.6 m -40.5 -56.56 2.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -52.68 -38.46 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.4 mtp -69.08 -43.0 75.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -42.61 -38.91 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -80.7 -64.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -40.15 -34.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.99 -67.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -62.89 -33.75 75.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -49.5 -58.27 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.4 mt -63.51 -48.13 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.54 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.4 t80 -57.02 -31.39 65.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.402 ' HE1' ' CD1' ' A' ' 71' ' ' TYR . 12.4 mmt -82.96 0.66 43.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 m -94.99 -72.35 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 1.5 m-85 -98.07 -61.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.44 HD11 ' CD2' ' A' ' 71' ' ' TYR . 24.7 mt -37.9 -38.27 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.8 t -62.51 154.61 28.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -78.73 156.59 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.78 32.49 14.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' HB2' ' HG3' ' A' ' 82' ' ' GLN . . . -71.97 133.18 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 m -44.91 -25.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.0 m -151.67 109.72 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.401 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.8 mt-30 -109.51 150.29 28.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.2 m -99.38 165.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -98.59 126.18 44.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 m -153.15 173.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -58.46 -54.53 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.72 85.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -74.64 -39.65 61.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.411 ' C ' ' N ' ' A' ' 91' ' ' LEU . 14.9 m -42.35 -27.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -45.08 -21.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.411 ' N ' ' C ' ' A' ' 89' ' ' SER . 45.5 mt -81.33 161.38 23.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 94' ' ' LYS . 64.9 m-20 -153.75 152.48 30.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -40.14 -26.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -61.96 -46.43 89.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.8 tt -46.61 -21.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 97' ' ' GLU . 57.2 mt -73.89 -37.36 64.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 96' ' ' LEU . 48.3 mt-10 -34.03 -58.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -109.35 102.02 47.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 127.22 14.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.485 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -154.5 148.73 19.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 5.55 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 2.5 mt -97.08 -20.29 18.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 7.9 ptm -59.48 -26.75 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 103' ' ' MET . 8.9 m-85 -116.12 -21.41 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -41.53 -51.24 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -62.82 -68.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -38.42 -45.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.422 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 44.6 tt0 -43.56 -65.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' GLN . 11.2 t70 -36.29 -58.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -44.7 -56.53 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.49 -48.42 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -42.25 -51.97 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.35 -45.14 56.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 tp -40.29 -68.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 120' ' ' TYR . 17.6 mtm -62.79 -18.2 62.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -65.84 -36.45 83.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.27 -5.61 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -92.54 -67.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 122' ' ' ARG . 22.1 p -97.08 -60.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 115' ' ' MET . 9.6 t80 -34.95 -43.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -41.75 99.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 119' ' ' SER . 6.2 ttp-105 -74.71 -37.74 62.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 126' ' ' SER . 35.6 t80 -50.82 -58.45 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 68.0 mt -43.64 -41.67 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -25.46 56.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 123' ' ' PHE . 22.6 t -57.98 175.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 129' ' ' PHE . 6.3 p-10 -91.85 -48.32 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 127' ' ' ASP . 1.9 tt -33.65 -34.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' ASP . 20.9 t80 -89.86 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 35.1 mt -36.24 -59.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 40.9 mttt -34.74 -54.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -72.12 -43.03 65.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 129' ' ' PHE . 6.7 ttpp -43.69 -34.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 136' ' ' GLU . 15.3 mmt180 -48.01 -50.5 27.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 134' ' ' ARG . 9.9 t -36.52 -32.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 134' ' ' ARG . 7.5 tt0 -54.55 -57.33 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.8 132.3 54.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -105.99 168.2 9.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.9 -19.56 57.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.69 136.29 56.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.43 8.31 23.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 78.9 mt -72.25 149.69 91.77 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.617 0.723 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -175.89 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.25 . . . . 0.0 112.367 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 49.1 m -121.0 163.96 17.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -137.06 144.7 16.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 138.87 38.57 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 t -85.28 -50.81 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 5.0 m -56.75 -51.59 68.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -70.05 -53.77 16.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -85.15 172.84 10.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.809 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.04 -107.89 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -68.25 -47.73 66.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.83 0.347 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.8 p -61.68 -38.1 86.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 38.15 58.15 1.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.7 m -55.37 -37.39 67.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.42 174.23 5.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.01 126.97 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 69.4 p -97.94 -49.45 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.537 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 24.7 p -54.18 -60.28 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.04 -44.77 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -58.83 -49.69 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.537 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 7.5 m0 -58.96 -49.36 78.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.02 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.049 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.49 -57.49 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -154.61 141.19 18.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 tp -48.84 -48.66 41.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -42.77 -52.5 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.402 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 76.9 m-20 -51.96 -36.65 50.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tp -73.31 -42.49 62.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.575 HD13 ' CH2' ' A' ' 48' ' ' TRP . 40.3 mt -64.48 -46.3 83.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 13.6 pt-20 -58.33 -42.81 87.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.1 m-20 -73.01 134.81 80.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.611 0.72 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.89 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -55.06 -45.0 75.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.4 -57.17 21.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.7 t -42.09 -44.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -52.79 -61.29 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -51.63 -46.23 63.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.442 ' CZ ' ' OG ' ' A' ' 119' ' ' SER . 2.4 t80 -53.04 -57.17 11.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 34' ' ' GLU . 37.8 mtm180 -46.42 -63.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' ARG . 2.9 mm-40 -32.86 -59.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -51.71 -67.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.7 mt -45.85 -58.76 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -37.55 -40.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -50.09 -45.51 52.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' OE1' ' NH2' ' A' ' 122' ' ' ARG . 8.6 pt-20 -95.05 13.55 24.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 53.04 44.9 29.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 33.7 m -116.82 -13.67 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.7 tt0 -39.72 -37.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 19.3 pm0 -36.7 -27.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 42' ' ' GLU . 1.3 p30 -61.1 -59.87 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 46' ' ' LEU . 29.8 m -65.02 -39.65 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.5 ' N ' HG23 ' A' ' 45' ' ' VAL . 95.3 mt -53.63 -38.08 63.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.524 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 2.2 t80 -83.74 -39.67 19.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.575 ' CH2' HD13 ' A' ' 23' ' ' LEU . 76.5 t90 -56.75 -52.24 65.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.8 mt -55.47 -43.31 75.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.6 71.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.4 m -48.85 -62.66 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -52.67 -61.5 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -40.61 -44.47 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.563 ' CZ ' ' HE1' ' A' ' 63' ' ' MET . 55.6 t80 -54.03 -63.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 16.8 ptpt -55.5 -35.42 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 29.2 mtpp -57.8 -44.29 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 63.8 mtm -58.41 130.98 49.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -87.76 -44.75 10.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -53.58 136.67 38.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -78.64 -51.41 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.3 m -43.86 -58.08 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.7 -42.4 62.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.563 ' HE1' ' CZ ' ' A' ' 54' ' ' PHE . 40.5 mtp -60.51 -44.95 95.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -48.94 -42.85 38.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.88 -55.27 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -50.64 -32.92 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.34 -68.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -56.66 -42.41 78.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.91 -59.51 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.7 mt -57.15 -49.61 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -53.51 -44.48 69.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.451 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 97.3 mmm -68.07 -2.23 7.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.41 HG21 ' CZ ' ' A' ' 74' ' ' PHE . 22.9 m -94.24 -69.26 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 2.3 m-85 -100.81 -36.13 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.509 ' CG ' ' HA ' ' A' ' 71' ' ' TYR . 15.7 mt -76.49 17.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 2.3 t -120.38 170.16 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.5 m -82.55 153.57 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.13 37.07 11.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.77 116.84 29.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -68.56 -43.65 76.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.438 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -89.07 17.89 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -54.29 113.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.33 175.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -118.11 113.02 20.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.434 ' HB ' ' NE2' ' A' ' 110' ' ' GLN . 35.2 m -149.8 164.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -96.05 122.09 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.79 44.59 14.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 90' ' ' ARG . 1.7 tm0? -73.16 -54.63 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' ARG . 42.7 t -44.62 -21.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 88' ' ' GLN . 17.0 ttm180 -37.52 -33.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 75' ' ' LEU . 1.5 pt? -92.16 159.73 15.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.471 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.5 m120 -151.85 159.68 43.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 92' ' ' ASN . 2.4 mp0 -31.91 -38.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 92' ' ' ASN . 46.7 mmtt -49.89 -49.18 50.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 96' ' ' LEU . 13.0 tt -42.48 -24.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.489 ' N ' HG22 ' A' ' 95' ' ' ILE . 44.1 mt -73.71 -38.76 64.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' LYS . 52.1 mt-10 -33.04 -59.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 5.8 pt-20 -111.35 102.03 52.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.68 0.752 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.77 21.94 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.504 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.23 148.06 16.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 0.0 110.832 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.429 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 52.9 Cg_endo -69.84 18.12 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.1 mt -112.43 -27.92 8.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.449 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 7.8 ptm -47.77 -43.37 27.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' GLN . 9.2 m-85 -96.3 -36.93 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 104' ' ' PHE . 19.5 tm0? -33.37 -44.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -63.19 -62.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 108' ' ' GLN . 15.3 mt -53.32 -52.01 60.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.517 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 62.0 tt0 -38.04 -53.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -41.62 -45.97 3.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.434 ' NE2' ' HB ' ' A' ' 85' ' ' VAL . 26.9 mt-30 -60.36 -61.05 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.438 ' N ' ' CD1' ' A' ' 111' ' ' ILE . 0.4 OUTLIER -52.26 -56.82 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' ILE . 89.7 t80 -37.4 -40.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.568 ' OD1' ' CD1' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -81.55 -43.75 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 113' ' ' ASN . 14.4 tp -36.01 -60.21 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 111' ' ' ILE . 2.0 mpp? -66.59 -40.29 88.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.496 ' HA ' ' CB ' ' A' ' 120' ' ' TYR . 19.5 ttpt -47.34 -23.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.568 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 25.0 m-85 -117.91 -30.33 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.405 ' CG ' HD13 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -73.64 -69.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 121' ' ' SER . 32.6 p -90.55 -59.09 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.496 ' CB ' ' HA ' ' A' ' 116' ' ' LYS . 56.9 t80 -34.59 -30.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 119' ' ' SER . 3.7 m -77.73 -68.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.448 ' NH2' ' OE1' ' A' ' 39' ' ' GLU . 14.6 ptt180 -63.15 -49.06 75.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -39.87 -54.0 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.0 mt -54.15 -44.42 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -70.58 -29.04 65.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 m -62.8 176.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.0 OUTLIER -82.55 -43.51 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.0 mt -33.43 -37.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 127' ' ' ASP . 26.3 t80 -98.0 -67.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' PHE . 12.3 mt -37.61 -46.92 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -60.03 3.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -55.31 -57.12 13.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -44.67 -58.62 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.402 ' C ' ' HD3' ' A' ' 134' ' ' ARG . 0.9 OUTLIER -45.2 -52.98 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 81.3 m -46.21 -45.95 17.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.7 173.78 12.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -88.94 138.22 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -81.08 165.02 22.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -93.96 173.94 7.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.02 169.84 8.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.05 36.12 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 57.3 mt -54.02 140.27 52.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.581 0.705 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 107.0 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.745 2.296 . . . . 0.0 112.351 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.2 p -63.93 -55.07 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 121.58 148.06 7.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.64 33.48 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 75.4 m -74.76 -62.04 1.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.3 t -132.83 124.38 27.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.545 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mptt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.792 0.329 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 m -90.24 -54.12 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -39.11 -45.28 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.2 69.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -60.01 -57.56 12.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.437 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 11.4 m0 -54.02 -43.63 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HA ' HD21 ' A' ' 124' ' ' LEU . . . -62.9 -43.9 97.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.98 -57.98 7.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 m -151.34 135.5 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.545 HD23 ' CE1' ' A' ' 112' ' ' PHE . 50.0 tp -47.3 -40.71 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -49.75 -44.21 48.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -58.03 -31.85 67.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 32' ' ' PHE . 5.6 tp -78.27 -39.89 38.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.548 HD13 ' CH2' ' A' ' 48' ' ' TRP . 34.5 mt -68.53 -44.38 74.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 14.6 pt-20 -62.59 -39.79 94.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 33.8 m-20 -76.97 145.17 73.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -44.27 2.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.01 -45.83 86.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' CA ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.14 -50.12 66.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.43 -42.05 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -55.96 -49.55 73.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -73.33 -58.84 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.455 ' HB2' HD21 ' A' ' 22' ' ' LEU . 8.3 t80 -38.78 -49.26 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -53.08 -59.21 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -43.73 -51.45 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.517 ' HB2' HD22 ' A' ' 128' ' ' LEU . 4.1 t80 -52.86 -47.59 67.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' A' ' 42' ' ' GLU . 77.7 mt -67.49 -61.1 2.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -34.14 -36.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.1 mtpt -43.84 -57.74 3.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -93.29 16.0 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 54.04 45.08 28.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 m -114.0 -10.93 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.697 ' O ' HG22 ' A' ' 45' ' ' VAL . 8.5 pm0 -45.08 -32.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' OE2' ' C ' ' A' ' 81' ' ' SER . 8.5 pt-20 -38.48 -26.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.59 ' HA ' HG12 ' A' ' 83' ' ' VAL . 71.0 m-20 -62.16 -53.32 56.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 42' ' ' GLU . 26.9 m -65.34 -29.92 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.49 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.556 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 12.4 t80 -81.33 -39.84 24.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.548 ' CH2' HD13 ' A' ' 23' ' ' LEU . 85.5 t90 -60.81 -50.22 74.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 mt -53.26 -50.43 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . -50.73 -52.82 36.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 108' ' ' GLN . 82.3 m -35.7 -54.12 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.45 -63.22 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.28 -44.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 83.7 t80 -52.25 -59.46 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 9.7 ptpt -62.02 -33.27 74.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 31.3 mtpt -59.03 -58.52 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' LYS . 54.1 mtm -35.58 -40.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 53.36 38.43 27.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.935 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 63' ' ' MET . 8.0 m-20 -127.14 132.42 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -66.48 -59.36 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.0 m -51.06 -63.13 1.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -49.78 -40.62 42.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 5.2 mtt -63.95 -48.12 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -42.22 -38.09 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -81.48 -68.7 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -39.17 -37.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.9 -68.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HA ' HD22 ' A' ' 96' ' ' LEU . 12.9 pttp -62.7 -35.6 80.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -52.41 -62.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.1 mt -59.67 -44.8 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.558 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.3 t80 -54.57 -45.6 73.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mmm -75.65 2.83 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.408 HG22 ' CE1' ' A' ' 74' ' ' PHE . 25.5 m -92.27 -59.56 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -118.04 -28.98 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.59 HD13 HD22 ' A' ' 91' ' ' LEU . 21.2 mt -80.61 18.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -109.3 161.17 15.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.2 t -73.27 -45.24 56.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -82.88 17.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.86 112.75 3.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -59.12 -30.2 67.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.449 ' C ' ' OE2' ' A' ' 43' ' ' GLU . 2.2 m -128.05 101.99 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -105.45 115.23 29.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 44' ' ' ASN . 19.8 m -55.72 165.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.554 ' O ' HD22 ' A' ' 114' ' ' LEU . 44.8 t-20 -97.07 128.68 44.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 84' ' ' ASN . 17.0 m -156.58 173.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -75.1 -45.74 39.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.95 68.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 10.7 pt20 -90.19 17.57 6.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.8 m -80.37 -8.47 59.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -48.81 -31.33 6.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 75' ' ' LEU . 3.6 pp -68.07 171.33 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.716 ' O ' HG22 ' A' ' 95' ' ' ILE . 2.3 t-20 -167.78 167.74 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -37.7 -26.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 92' ' ' ASN . 48.1 mmtt -65.29 -46.39 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 92' ' ' ASN . 8.4 tt -45.12 -23.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' GLU . 34.0 mt -78.51 -35.08 46.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' LEU . 13.9 mt-10 -33.38 -67.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.1 pm0 -106.91 102.03 40.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.727 . . . . 0.0 110.825 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.2 Cg_endo -69.84 130.12 18.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 0.0 112.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.479 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.52 148.55 19.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.576 0.703 . . . . 0.0 110.851 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 53.8 Cg_endo -69.82 18.85 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.5 mt -113.91 -17.78 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.54 ' HB2' HD11 ' A' ' 95' ' ' ILE . 8.3 ptm -65.43 -38.17 89.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.574 ' HD1' HD12 ' A' ' 107' ' ' LEU . 25.2 m-85 -100.55 -37.63 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 104' ' ' PHE . 2.2 tp-100 -32.0 -48.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -72.22 -53.61 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.574 HD12 ' HD1' ' A' ' 104' ' ' PHE . 50.8 mt -50.23 -31.63 14.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.493 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 30.3 tt0 -75.91 -34.46 59.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.38 -56.71 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -55.3 -56.57 18.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.1 mm -47.37 -41.95 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.57 ' CE2' ' HD2' ' A' ' 116' ' ' LYS . 23.1 t80 -53.51 -52.38 59.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -37.54 87.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 84' ' ' ASN . 10.8 tp -54.53 -59.84 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 120' ' ' TYR . 49.9 mtm -65.92 -29.51 69.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.838 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.57 ' HD2' ' CE2' ' A' ' 112' ' ' PHE . 3.2 mtpm? -54.37 -35.08 62.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -116.77 -15.57 10.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 29.1 t70 -85.64 -63.58 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 120' ' ' TYR . 14.3 m -95.32 -62.99 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 115' ' ' MET . 30.5 t80 -35.6 -65.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 120' ' ' TYR . 1.7 m -37.18 -52.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.432 ' HG2' ' NZ ' ' A' ' 125' ' ' LYS . 33.5 mtm180 -65.47 -52.14 55.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.511 ' HE1' HD23 ' A' ' 128' ' ' LEU . 68.6 t80 -38.19 -44.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 16' ' ' ALA . 87.8 mt -62.9 -53.56 52.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.432 ' NZ ' ' HG2' ' A' ' 122' ' ' ARG . 10.5 pttm -81.58 15.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.2 m -100.75 154.36 18.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -60.29 -45.6 92.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.517 HD22 ' HB2' ' A' ' 35' ' ' PHE . 10.2 tp -40.15 -40.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -93.14 -56.16 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 131' ' ' LYS . 29.4 mt -43.93 -57.87 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 130' ' ' LEU . 17.4 mmtp -34.11 -54.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -66.14 -43.58 86.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 130' ' ' LEU . 40.3 tttp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.787 0.327 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 p -57.39 -47.71 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 p -43.24 -54.34 4.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.81 -42.09 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -63.92 -58.24 7.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -53.04 -52.34 58.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.32 77.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.49 -51.05 21.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.8 m -159.64 152.37 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 112' ' ' PHE . 20.7 tp -57.92 -44.53 86.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -45.71 -59.05 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 58.3 m-20 -40.58 -34.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' A' ' 32' ' ' PHE . 6.5 tp -72.48 -44.49 62.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.65 -46.57 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -60.86 -46.15 91.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.494 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 43.0 m-20 -72.44 143.34 85.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -50.4 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -50.76 -41.72 56.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.16 -63.89 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -38.25 -52.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' N ' ' HE3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -53.69 -56.92 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' PHE . 20.3 mmt-85 -59.83 -64.39 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.741 ' HB2' HD21 ' A' ' 22' ' ' LEU . 8.8 t80 -37.86 -54.79 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' GLU . 35.3 mtt180 -45.64 -66.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' ARG . 1.6 mm-40 -34.25 -58.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.588 ' CZ ' ' OE2' ' A' ' 39' ' ' GLU . 2.1 t80 -54.99 -45.08 74.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.74 HD11 ' CE2' ' A' ' 32' ' ' PHE . 84.0 mt -62.21 -60.05 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.3 ttmm -36.02 -52.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -46.67 -60.13 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.588 ' OE2' ' CZ ' ' A' ' 35' ' ' PHE . 9.3 pt-20 -75.41 6.5 4.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 63.14 41.6 7.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -111.96 -7.08 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.738 ' OE2' HD11 ' A' ' 46' ' ' LEU . 9.0 tt0 -53.75 -50.76 65.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.956 ' HA ' HD12 ' A' ' 46' ' ' LEU . 14.8 pm0 -40.34 -29.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -60.62 -60.17 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 42' ' ' GLU . 22.3 m -63.14 -35.15 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.956 HD12 ' HA ' ' A' ' 43' ' ' GLU . 84.6 mt -51.82 -40.65 60.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 23.1 t80 -79.88 -49.82 11.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.506 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 44.6 t90 -52.16 -40.5 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.36 -51.54 59.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.68 -27.75 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.0 m -66.7 -66.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.12 -24.75 11.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -81.41 -33.74 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -68.89 -24.06 64.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 3.6 ptpp? -95.57 -30.96 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 57' ' ' MET . 7.5 ptpt -59.28 -33.07 70.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.503 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 31.2 mtm -61.2 146.13 48.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -97.24 -47.95 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -56.6 140.69 45.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -82.91 -48.42 10.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.0 m -46.59 -56.2 6.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -50.25 -36.23 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.8 mtp -70.76 -41.95 71.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -46.95 -42.07 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -78.77 -60.19 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -48.41 -28.48 3.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.5 -66.69 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.535 ' HA ' HD22 ' A' ' 96' ' ' LEU . 14.6 pttt -65.37 -34.28 77.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -48.03 -66.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.4 mt -55.62 -37.04 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.738 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -60.14 -42.84 95.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 94.2 mmm -74.95 8.05 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.0 m -98.05 -68.46 0.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -111.55 -29.73 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.832 HD13 HD11 ' A' ' 91' ' ' LEU . 19.8 mt -75.37 10.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.9 OUTLIER -118.63 177.14 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.1 m -91.85 157.44 16.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp 62.07 34.53 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.77 113.39 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.1 m -62.97 -38.61 91.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.2 p -87.01 17.05 4.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.01 122.43 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.49 173.91 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -104.87 117.23 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.7 m -151.14 146.93 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -41.86 -58.22 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.95 110.51 1.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.65 167.06 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.4 m 63.29 32.05 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 mmm-85 -88.88 -32.01 17.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.832 HD11 HD13 ' A' ' 75' ' ' LEU . 1.3 pt? -71.72 125.34 26.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.875 ' O ' HG22 ' A' ' 95' ' ' ILE . 62.4 m-80 -73.7 169.32 17.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.86 -29.68 70.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -35.5 53.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.875 HG22 ' O ' ' A' ' 92' ' ' ASN . 4.4 tt -49.22 -21.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 68' ' ' LYS . 57.9 mt -75.47 -33.18 60.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -41.75 -64.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.432 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 9.9 pt-20 -105.16 102.02 33.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.646 0.736 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.0 Cg_endo -69.76 133.23 25.07 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.78 151.67 21.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 6.58 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.504 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 7.5 mt -110.39 17.97 20.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.716 ' HB2' HD11 ' A' ' 95' ' ' ILE . 11.4 ptm -93.29 -43.65 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 6.2 m-85 -100.28 -37.59 8.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 104' ' ' PHE . 4.2 tt0 -34.28 -48.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -44.43 -61.52 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.42 -40.5 91.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.506 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 37.9 tt0 -51.08 -19.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.96 -59.85 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -60.59 -37.45 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.9 mm -63.37 -37.13 78.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.427 ' CE1' HD23 ' A' ' 19' ' ' LEU . 20.7 t80 -55.69 -62.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -64.68 -36.0 82.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 tp -41.67 -64.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 120' ' ' TYR . 36.4 mtm -69.85 -24.23 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -56.64 -30.71 63.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -115.82 -14.14 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -93.71 -56.76 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 120' ' ' TYR . 31.8 m -95.41 -67.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 123' ' ' PHE . 68.4 t80 -36.24 -67.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.9 t -39.51 -35.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.437 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 13.8 ttm180 -84.4 -33.42 23.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 120' ' ' TYR . 52.5 t80 -53.18 -52.12 59.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.9 mt -49.94 -35.9 25.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -76.06 -37.99 57.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.6 m -54.65 168.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -80.3 -44.66 19.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 127' ' ' ASP . 9.4 tp -33.6 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 127' ' ' ASP . 50.0 t80 -91.03 -67.9 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 131' ' ' LYS . 91.5 mt -36.14 -45.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -34.16 -59.7 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -66.8 -46.93 73.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.416 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 25.4 tttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.9 p -97.77 -40.96 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -52.14 -50.93 60.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.6 -41.6 42.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -64.01 -51.93 61.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CZ2' ' HA2' ' A' ' 28' ' ' GLY . 20.1 m0 -57.83 -55.82 29.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.87 -38.09 61.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.9 38.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.9 p -157.92 140.4 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 25.4 tp -48.49 -46.15 37.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -44.2 -52.85 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.498 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 92.3 m-20 -49.04 -36.06 17.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.572 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.2 tp -70.67 -36.99 73.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.494 HD13 ' CH2' ' A' ' 48' ' ' TRP . 32.5 mt -73.56 -45.41 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 3.0 pp20? -63.6 -45.44 90.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.5 t0 -66.75 130.61 94.01 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.0 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.72 -35.04 73.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.557 ' HA2' ' CZ2' ' A' ' 15' ' ' TRP . . . -69.51 -54.33 13.28 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 25' ' ' ASP . 88.2 t -44.41 -42.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -46.25 -60.13 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.447 ' C ' HD21 ' A' ' 128' ' ' LEU . 2.9 mpt_? -55.4 -60.0 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CD1' HD21 ' A' ' 22' ' ' LEU . 3.2 t80 -36.48 -62.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -45.97 -50.45 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -54.78 -54.32 43.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -55.01 -43.64 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' LYS . 81.2 mt -61.77 -57.46 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -35.23 -37.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -43.68 -52.64 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -102.31 17.98 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 59.71 44.92 13.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 10.6 p -107.39 -12.48 15.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.745 ' O ' HG22 ' A' ' 45' ' ' VAL . 27.1 tt0 -39.58 -60.07 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.1 tp10 -34.77 -37.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 41' ' ' SER . 10.3 m-20 -43.47 -49.18 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 42' ' ' GLU . 27.6 m -75.29 -30.7 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 43' ' ' GLU . 31.1 mt -58.69 -36.99 75.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.562 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 23.5 t80 -83.32 -38.91 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.494 ' CH2' HD13 ' A' ' 23' ' ' LEU . 63.7 t90 -63.23 -52.98 60.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.39 -46.01 69.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.95 -48.1 61.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.8 m -49.85 -50.98 43.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 6.0 tm-20 -59.4 -62.61 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -48.96 -34.68 13.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -62.67 -60.2 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 13.1 ptpt -53.77 -33.29 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 53.2 mtpt -56.45 -42.74 78.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.6 mtm -56.84 133.02 54.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -96.26 -43.37 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -53.39 127.73 25.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -67.05 -54.15 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 m -48.73 -61.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -45.37 -38.62 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 54.5 mtp -66.89 -44.33 81.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.496 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 73.3 mt-30 -43.54 -49.39 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.415 ' HA ' ' CE ' ' A' ' 68' ' ' LYS . 15.6 mt-10 -64.97 -66.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -45.22 -26.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -56.9 -69.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.8 -30.79 71.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 10.3 mt-10 -50.35 -57.53 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.0 mt -71.65 -41.36 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.667 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -57.96 -31.15 66.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mmt -84.64 -6.29 59.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 52.8 m -91.62 -68.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -97.99 -66.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.759 HD11 ' CE1' ' A' ' 104' ' ' PHE . 34.0 mt -34.73 -45.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 t -52.41 123.18 10.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -57.93 -26.56 62.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -80.15 13.99 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 73' ' ' THR . . . -87.34 141.91 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.4 t -93.61 -38.96 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.405 ' HB2' ' OE2' ' A' ' 43' ' ' GLU . 14.7 m -82.27 17.34 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -51.96 118.84 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -57.11 156.62 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -71.51 115.04 10.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 88' ' ' GLN . 9.6 m -151.35 143.61 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -46.23 -48.94 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.45 79.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.527 ' CG ' HG21 ' A' ' 85' ' ' VAL . 11.8 pt20 -81.45 -41.77 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 88' ' ' GLN . 30.9 t -40.24 -24.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 88' ' ' GLN . 18.8 ttt180 -38.57 -32.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -57.0 159.39 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.619 ' O ' HG22 ' A' ' 95' ' ' ILE . 82.6 m-20 -113.82 -179.05 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -86.24 -20.48 28.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -57.19 -37.79 72.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.878 HD11 ' HB2' ' A' ' 103' ' ' MET . 0.7 OUTLIER -51.89 -40.73 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLU . 65.0 mt -51.21 -43.82 61.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' LEU . 27.8 mt-10 -34.55 -65.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.01 102.89 45.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 140.71 43.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.322 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.84 148.49 17.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 110.878 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 13.99 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.37 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 8.7 mt -110.74 -12.68 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.878 ' HB2' HD11 ' A' ' 95' ' ' ILE . 7.3 ptm -62.83 -51.34 67.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.759 ' CE1' HD11 ' A' ' 75' ' ' LEU . 2.4 m-85 -102.89 17.74 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -71.48 -47.09 57.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -72.8 -54.96 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 104' ' ' PHE . 6.1 mt -48.06 -35.31 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.485 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 52.5 tt0 -68.36 -35.58 77.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -63.03 -62.77 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -46.0 -47.36 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.0 -38.95 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -49.32 -57.5 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 114' ' ' LEU . 18.5 m-80 -65.25 -46.97 78.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 12.6 tp -35.35 -58.89 0.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 120' ' ' TYR . 51.6 mtm -73.48 -29.19 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 113' ' ' ASN . 28.7 tttm -52.58 -31.54 36.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -117.44 -24.72 7.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 26.1 t0 -79.83 -57.42 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 120' ' ' TYR . 19.5 m -96.39 -67.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 115' ' ' MET . 37.8 t80 -32.92 -50.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.4 t -54.97 -57.01 13.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 123' ' ' PHE . 43.4 mmm-85 -60.52 -54.05 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' A' ' 122' ' ' ARG . 22.0 t80 -32.54 -61.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 47.2 mt -44.41 -56.07 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -43.92 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.1 t -54.9 150.82 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -58.53 -44.26 89.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.447 HD21 ' C ' ' A' ' 31' ' ' ARG . 63.2 tp -34.97 -33.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 127' ' ' ASP . 60.9 t80 -96.34 -59.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 131' ' ' LYS . 56.1 mt -45.89 -53.1 10.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 130' ' ' LEU . 13.1 mmmt -34.32 -61.22 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -62.48 -40.57 97.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 47.9 tttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.51 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 4.5 m -85.63 -57.81 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.9 p -38.83 -25.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' SER . . . -63.65 -66.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.591 ' HG3' ' CD1' ' A' ' 15' ' ' TRP . 4.6 pttm -48.98 -34.64 13.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.591 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 10.2 m0 -76.43 -40.97 49.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.12 -36.91 81.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.69 -60.38 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.9 m -151.99 171.07 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.648 HD23 ' CE1' ' A' ' 112' ' ' PHE . 24.1 tp -73.54 -38.51 65.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.26 -45.61 45.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 28.6 m-20 -64.76 -21.99 66.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.699 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.5 tp -85.57 -47.08 10.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.497 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 44.8 mt -67.25 -40.35 86.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 12.5 pt-20 -60.62 -45.78 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 7.1 m-20 -81.83 143.43 50.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.722 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.258 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -56.06 -36.32 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.21 -52.31 32.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 23' ' ' LEU . 72.6 t -48.56 -51.11 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -53.86 -55.3 27.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HA ' ' CD ' ' A' ' 34' ' ' GLU . 27.5 mmm-85 -60.74 -12.25 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.699 ' CD1' HD21 ' A' ' 22' ' ' LEU . 37.5 t80 -87.87 -35.27 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' GLU . 54.0 mtp180 -72.43 -43.91 63.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.541 ' CG ' HD21 ' A' ' 128' ' ' LEU . 1.9 pt-20 -37.39 -51.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -69.07 -54.23 16.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.1 mt -43.13 -49.27 6.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -49.62 -39.63 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -48.43 -51.9 24.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -95.53 13.71 25.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 55.64 42.51 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -109.9 10.13 24.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -55.42 -31.96 62.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.651 ' HA ' HD12 ' A' ' 46' ' ' LEU . 7.5 pt-20 -58.37 -17.57 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -61.24 -65.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.54 -35.97 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 43' ' ' GLU . 30.0 mt -48.86 -40.26 28.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 6.5 t80 -79.25 -37.39 38.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.497 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 87.4 t90 -61.12 -52.81 63.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 31.1 mt -49.8 -56.49 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -36.1 -55.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 58.1 m -46.07 -67.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 8.9 mm-40 -44.88 -35.66 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.17 -35.08 61.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 35.1 t80 -65.44 -49.76 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' CD ' ' HA ' ' A' ' 52' ' ' GLU . 1.4 ptmm? -63.02 -31.66 72.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -60.45 -37.9 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.9 mtm -66.82 134.01 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -97.4 -47.03 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -53.27 137.96 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 63' ' ' MET . 47.1 tttt -74.51 -60.17 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.6 m -36.49 -57.46 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -52.59 -41.76 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.472 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 4.5 mtt -66.57 -47.8 71.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -39.42 -41.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -75.47 -67.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HG3' ' CD1' ' A' ' 70' ' ' ILE . 32.7 tptt -40.55 -34.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.47 -67.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.633 ' HB3' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -67.28 -31.89 72.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -53.1 -53.92 43.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 48.1 mt -69.94 -37.24 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.783 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.5 t80 -64.03 -19.16 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.425 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 6.8 mmt -101.23 9.08 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.695 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 44.3 m -97.98 -61.49 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.695 ' CE1' ' CG2' ' A' ' 73' ' ' THR . 3.2 m-85 -117.82 -37.97 3.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 71' ' ' TYR . 45.8 mt -57.89 -42.19 84.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.425 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 12.8 t -58.09 158.31 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.4 m -77.78 -44.83 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -72.37 2.42 6.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -54.69 121.34 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m -54.57 -26.14 30.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -136.46 102.16 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.46 ' OE1' ' CD ' ' A' ' 88' ' ' GLN . 9.1 tt0 -107.88 109.36 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.8 m -56.57 177.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.491 ' O ' HG13 ' A' ' 85' ' ' VAL . 4.9 t30 -113.48 138.4 50.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 84' ' ' ASN . 13.2 m -157.94 139.71 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -44.69 -33.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.11 71.43 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.46 ' CD ' ' OE1' ' A' ' 82' ' ' GLN . 12.3 tm0? -91.1 159.73 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.6 m 60.68 46.09 9.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -111.66 -29.51 7.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.868 HD22 HD12 ' A' ' 95' ' ' ILE . 52.5 mt -75.83 155.14 35.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.623 ' O ' HG22 ' A' ' 95' ' ' ILE . 56.9 m-20 -138.16 154.54 49.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -43.3 -23.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 92' ' ' ASN . 2.9 mppt? -63.6 -43.19 97.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.868 HD12 HD22 ' A' ' 91' ' ' LEU . 11.1 tt -45.71 -23.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 68' ' ' LYS . 47.9 mt -72.42 -37.28 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 96' ' ' LEU . 17.3 mt-10 -34.25 -49.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -121.41 102.02 43.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 123.81 10.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.369 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -151.39 150.06 25.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.547 0.689 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 9.9 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 2.1 mt -107.63 -13.52 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 8.2 ptm -60.92 -38.9 87.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 103' ' ' MET . 6.0 m-85 -102.87 -33.31 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 104' ' ' PHE . 32.5 tp60 -32.11 -53.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 -59.74 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.511 ' CD1' ' CD2' ' A' ' 75' ' ' LEU . 14.2 mt -57.3 -42.77 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.414 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 53.1 tt0 -46.94 -64.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -38.52 -55.61 1.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -48.82 -60.5 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.409 HG22 ' HE1' ' A' ' 115' ' ' MET . 28.8 mm -53.8 -42.72 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.648 ' CE1' HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -44.46 -61.56 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -66.07 -44.36 84.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 10.4 tp -38.38 -59.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' TYR . 30.9 mtm -68.37 -34.78 76.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -55.09 -29.47 57.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -114.68 -16.17 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 35.1 t0 -93.37 -61.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' TYR . 44.6 t -89.84 -67.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' SER . 50.7 t80 -33.69 -55.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.5 t -52.33 -62.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 123' ' ' PHE . 62.9 mtp85 -56.89 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' A' ' 122' ' ' ARG . 6.5 t80 -33.59 -59.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.0 mt -44.78 -63.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.766 ' O ' HD12 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -52.68 -43.11 65.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -55.21 143.1 28.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.7 p-10 -48.14 -39.49 20.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.541 HD21 ' CG ' ' A' ' 34' ' ' GLU . 15.6 tp -34.14 -46.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -93.77 -51.89 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 125' ' ' LYS . 12.6 mt -52.6 -59.79 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -47.07 -60.51 2.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -51.34 -43.9 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 84.3 tttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mptt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.4 m -90.54 -57.05 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.463 HG21 ' HA ' ' A' ' 133' ' ' LYS . 67.7 p -38.73 -52.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.48 -43.8 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -58.99 -51.63 69.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -59.39 -46.2 89.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.15 94.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.74 -57.91 7.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LEU . 4.7 t -155.72 134.57 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.61 HD23 ' CE1' ' A' ' 112' ' ' PHE . 46.6 tp -37.44 -53.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -36.0 -62.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 6.6 m-20 -39.15 -39.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 32' ' ' PHE . 5.3 tp -69.7 -38.02 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.515 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 50.2 mt -72.95 -45.9 55.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 2.9 pp20? -63.74 -40.08 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.2 t70 -77.28 141.2 66.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.0 Cg_endo -69.73 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.236 . . . . 0.0 112.391 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -51.36 -42.9 61.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.8 -59.67 8.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 25' ' ' ASP . 92.6 t -42.67 -45.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.09 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -53.43 -54.73 32.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -63.68 -47.81 79.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.455 ' HB2' HD21 ' A' ' 22' ' ' LEU . 2.9 t80 -50.42 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HB3' ' CD ' ' A' ' 42' ' ' GLU . 33.7 mtp180 -38.01 -57.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -44.75 -51.88 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -51.94 -53.31 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 41' ' ' SER . 83.6 mt -57.21 -48.04 79.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -42.99 -38.23 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -39.92 15.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' HG3' ' HB2' ' A' ' 41' ' ' SER . 4.9 pt-20 -111.18 9.33 21.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 62.88 44.16 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.476 ' OG ' ' ND2' ' A' ' 44' ' ' ASN . 6.7 t -117.96 17.94 14.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.838 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' CD ' ' HB3' ' A' ' 33' ' ' ARG . 38.3 tt0 -71.71 3.42 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' HA ' HD12 ' A' ' 46' ' ' LEU . 5.6 tp10 -82.05 -45.62 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.476 ' ND2' ' OG ' ' A' ' 41' ' ' SER . 13.4 p30 -46.18 -40.81 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.459 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 14.5 m -76.31 -30.99 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 43' ' ' GLU . 42.0 mt -65.8 -40.0 91.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -79.81 -40.43 28.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.515 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 79.3 t90 -56.64 -55.23 36.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.427 HD23 ' HZ3' ' A' ' 48' ' ' TRP . 7.2 mt -54.75 -53.43 55.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' ASP . . . -38.84 -53.22 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 69.5 m -39.49 -61.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 71.3 mm-40 -50.87 -33.04 22.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 56' ' ' LYS . 2.2 m-20 -73.87 -58.69 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.4 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 82.4 t80 -40.45 -33.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 14.6 ptpt -84.05 -31.04 25.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.8 ptpp? -66.06 -34.02 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.498 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 75.4 mtm -54.33 -42.25 69.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 52.92 37.29 24.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' MET . 1.2 m-20 -130.56 137.52 49.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -74.22 -54.93 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.8 m -55.16 -55.37 31.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -57.6 -46.62 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 78.7 mtp -59.73 -44.38 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -44.76 -40.93 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' LYS . 24.4 mt-10 -78.81 -69.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' GLU . 14.8 tptt -37.48 -42.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.62 -67.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HA ' HD22 ' A' ' 96' ' ' LEU . 7.5 ptmt -56.2 -32.21 64.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.56 -61.76 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -55.95 -43.42 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 5.2 t80 -63.17 -58.59 6.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.2 mtp -59.29 -12.7 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 58.5 m -84.16 -70.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -98.01 -68.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 104' ' ' PHE . 31.2 mt -33.9 -34.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' PHE . 2.6 t -58.31 137.92 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.3 t -71.16 -34.37 70.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -76.11 8.7 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 73' ' ' THR . . . -88.42 128.98 35.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.3 m -75.41 -37.25 60.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 m -84.69 18.03 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -52.03 117.49 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.0 m -57.76 143.12 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -73.41 109.51 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.446 HG21 ' CD ' ' A' ' 88' ' ' GLN . 21.5 m -144.36 126.9 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.68 133.25 55.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.04 -90.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.446 ' CD ' HG21 ' A' ' 85' ' ' VAL . 12.4 tt0 55.29 47.88 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.965 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.6 p -113.97 14.81 18.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -88.5 15.54 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 75' ' ' LEU . 2.1 pt? -137.64 157.85 45.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.742 ' O ' HG22 ' A' ' 95' ' ' ILE . 7.2 m120 -167.67 167.96 12.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 45.7 mt-10 -34.12 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 92' ' ' ASN . 17.1 mmtp -57.28 -48.01 79.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 92' ' ' ASN . 16.0 tt -42.86 -23.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 97' ' ' GLU . 40.8 mt -75.32 -38.78 60.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 96' ' ' LEU . 79.3 mt-10 -33.36 -64.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -112.16 102.0 53.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.609 0.719 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 139.16 39.51 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.734 2.289 . . . . 0.0 112.31 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -157.27 149.62 17.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.824 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 7.8 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.5 mt -112.49 17.92 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.584 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 9.2 ptm -90.92 -43.16 10.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.584 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.5 m-85 -110.89 17.02 20.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.0 -59.16 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -59.15 -53.78 54.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 104' ' ' PHE . 24.4 mt -44.75 -37.91 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.502 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 52.8 tt0 -61.23 -35.22 76.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -65.85 -68.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -43.4 -49.86 6.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 107' ' ' LEU . 37.5 mm -59.62 -42.76 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.61 ' CE1' HD23 ' A' ' 19' ' ' LEU . 1.7 t80 -49.85 -53.58 24.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.67 -45.46 92.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.2 tp -42.41 -57.8 2.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 17.5 mtm -73.14 -33.72 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HE3' ' CE1' ' A' ' 112' ' ' PHE . 28.6 ttmt -55.87 -25.04 40.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -117.95 -26.13 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 25.4 t70 -77.01 -64.32 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 120' ' ' TYR . 11.3 p -94.11 -66.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.526 ' HB2' HD13 ' A' ' 19' ' ' LEU . 42.9 t80 -32.02 -67.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 120' ' ' TYR . 19.7 t -35.57 -61.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 123' ' ' PHE . 24.6 mmm180 -59.49 -54.62 44.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 129' ' ' PHE . 52.2 t80 -32.11 -63.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.9 mt -38.86 -48.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -72.02 -42.06 66.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.7 t -54.91 148.97 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 128' ' ' LEU . 2.1 p-10 -58.74 -43.23 90.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.3 tp -32.14 -44.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.568 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . 31.0 t80 -83.5 -62.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 131' ' ' LYS . 91.1 mt -45.67 -60.56 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' LEU . 32.2 tptt -33.82 -54.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -48.04 -52.98 17.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.463 ' HA ' HG21 ' A' ' 12' ' ' THR . 35.6 mtpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.771 0.32 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 14' ' ' LYS . 4.3 m -71.84 -45.95 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.466 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 17.9 p -37.81 -46.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.4 -43.02 61.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' SER . 1.1 mptp? -61.71 -45.25 94.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.498 ' HB3' HD13 ' A' ' 22' ' ' LEU . 8.5 m0 -66.4 -42.77 87.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.35 97.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.17 -54.11 28.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.8 m -161.55 156.18 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.9 -44.3 97.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -43.73 -41.82 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 72.3 m-20 -67.44 -34.71 77.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 15' ' ' TRP . 5.5 tp -74.55 -38.44 62.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 mt -75.04 -43.14 55.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -63.72 -43.0 97.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 29' ' ' VAL . 54.2 m-20 -74.76 148.71 85.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.709 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -50.66 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.27 -46.65 76.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.49 -53.74 39.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 25' ' ' ASP . 92.4 t -55.47 -44.39 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 111.125 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -54.08 -56.85 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -61.54 -53.73 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.418 ' HB2' HD21 ' A' ' 22' ' ' LEU . 4.7 t80 -46.89 -52.57 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.426 HH12 HD21 ' A' ' 46' ' ' LEU . 36.4 mtp85 -52.34 -53.15 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -47.15 -50.81 19.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.54 -52.92 62.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 37' ' ' LYS . 61.9 mt -54.34 -52.75 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 36' ' ' LEU . 8.7 ttpt -34.75 -45.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -42.71 -59.64 1.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -91.21 12.87 18.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 59.98 47.37 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.423 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.6 p -112.65 17.85 18.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 45' ' ' VAL . 21.2 tt0 -64.2 -53.86 42.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.691 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.1 pm0 -40.53 -32.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.461 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 15.0 m-20 -47.73 -59.03 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 42' ' ' GLU . 18.3 m -67.91 -37.68 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 43' ' ' GLU . 64.8 mt -51.17 -46.07 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.413 ' CD1' ' CD2' ' A' ' 74' ' ' PHE . 34.8 t80 -70.53 -43.97 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.542 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 80.6 t90 -57.75 -59.37 5.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 ' CZ3' ' A' ' 48' ' ' TRP . 11.1 mt -48.08 -55.18 10.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . -42.84 -56.14 3.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 50' ' ' ALA . 95.0 m -36.9 -43.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.36 -49.5 22.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -51.32 -41.87 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.19 -61.32 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -56.8 -31.95 65.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 17.6 mmtt -60.2 -41.91 93.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.4 mtm -58.69 136.87 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -97.13 -44.93 6.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.84 116.72 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -60.65 -50.11 74.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.7 m -44.26 -54.81 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -57.83 -41.63 82.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.5 mtp -59.29 -47.3 85.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 28.0 mt-30 -44.36 -50.37 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -66.6 -68.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -41.94 -30.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -51.72 -68.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.771 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -65.55 -34.81 79.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -47.42 -60.93 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.97 -47.54 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.627 ' HA ' HD12 ' A' ' 75' ' ' LEU . 3.0 t80 -51.3 -52.4 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.9 mtp -66.49 -3.82 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.526 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 4.1 m -84.48 -65.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 47' ' ' PHE . 1.9 m-85 -114.16 -26.04 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 91' ' ' LEU . 17.6 mt -81.47 16.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 77' ' ' SER . 1.7 t -106.63 172.05 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.401 ' N ' ' OG ' ' A' ' 76' ' ' SER . 43.6 t -84.5 -45.58 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -83.31 17.16 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -79.08 113.71 17.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.6 t -77.9 -31.62 51.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.7 p -80.43 13.52 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -51.94 116.2 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.54 170.36 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.465 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 23.3 t30 -88.69 129.83 35.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 84' ' ' ASN . 29.9 m -159.49 177.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.01 -54.68 23.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.45 72.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HB3' HG21 ' A' ' 85' ' ' VAL . 3.2 pp0? -54.96 -33.9 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' LEU . 1.6 t -40.25 -30.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -39.66 -28.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 75' ' ' LEU . 31.4 mt -73.59 176.09 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.765 ' O ' HG22 ' A' ' 95' ' ' ILE . 11.7 t-20 -162.15 153.45 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -47.29 -27.62 1.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -59.84 -43.88 94.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.765 HG22 ' O ' ' A' ' 92' ' ' ASN . 10.4 tt -44.81 -24.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.771 HD13 ' CB ' ' A' ' 68' ' ' LYS . 27.0 mt -72.01 -38.24 69.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 96' ' ' LEU . 5.4 mm-40 -36.79 -57.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 9.5 mm-40 -111.01 101.92 51.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.5 Cg_endo -69.73 129.13 17.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -155.2 149.7 19.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.445 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.4 Cg_endo -69.78 0.7 5.28 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.4 mt -102.66 17.95 22.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.573 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 10.2 ptm -92.1 -47.44 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.5 m-85 -104.76 12.22 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 106' ' ' LYS . 20.2 tm0? -68.98 -68.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.431 ' N ' ' OE1' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -48.55 -50.14 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.796 HD11 HD11 ' A' ' 91' ' ' LEU . 9.8 mt -53.65 -33.79 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.542 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 7.0 tt0 -72.64 -28.63 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.19 -50.18 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.402 ' NE2' HD23 ' A' ' 107' ' ' LEU . 19.1 pt20 -66.92 -45.05 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.434 HD11 ' CG1' ' A' ' 85' ' ' VAL . 41.9 mm -61.52 -31.35 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -56.84 -62.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 8.5 p30 -62.81 -41.41 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.485 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 16.8 tp -40.46 -43.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.451 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 29.6 mtm -89.12 -56.77 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -44.55 -26.51 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 3.2 m-85 -75.33 -67.92 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 119' ' ' SER . 5.9 t0 -91.75 -67.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 118' ' ' ASP . 23.0 m -33.33 -68.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.65 ' CZ ' HD11 ' A' ' 124' ' ' LEU . 65.4 t80 -49.64 -49.15 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -55.8 -35.28 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.803 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -77.16 -40.65 44.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -50.67 -58.44 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.65 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 19.7 mt -55.98 -66.45 0.43 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -43.56 -43.97 5.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.2 m -53.62 166.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.9 p30 -70.29 -44.28 68.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.1 tp -34.18 -42.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -83.45 -61.17 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LYS . 76.0 mt -48.39 -59.55 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.9 OUTLIER -33.89 -56.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -68.1 -50.6 53.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 23.4 tttt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.8 mttm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m -79.83 -56.43 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 p -40.18 -41.35 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.93 63.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.067 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -55.87 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.416 ' HB3' HD13 ' A' ' 22' ' ' LEU . 10.2 m0 -56.15 -43.51 78.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.83 94.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.87 67.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 t -159.05 151.79 21.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 22' ' ' LEU . 50.1 tp -60.74 -49.44 77.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -40.13 -53.7 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -51.04 -35.96 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD12 ' HA3' ' A' ' 28' ' ' GLY . 6.2 tp -72.64 -49.01 34.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.56 -45.02 93.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 12.7 pt-20 -62.46 -44.98 95.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.48 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.0 t70 -70.81 140.18 86.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.77 -40.34 5.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -60.77 -44.19 97.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.462 ' HA3' HD12 ' A' ' 22' ' ' LEU . . . -60.07 -57.91 16.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -45.44 -46.48 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -54.62 -47.16 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.6 mmt-85 -68.6 -52.77 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -50.35 -57.28 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -42.85 -61.01 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -44.14 -57.51 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -48.78 -56.98 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' LYS . 37.7 mt -49.05 -51.98 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -36.04 -48.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -45.34 -58.77 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -87.63 15.36 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 52.1 47.98 23.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -115.67 18.05 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 45' ' ' VAL . 32.2 tt0 -65.64 -54.76 23.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -39.12 -35.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -47.34 -66.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 42' ' ' GLU . 16.0 m -60.93 -40.97 87.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 43' ' ' GLU . 20.0 mt -47.84 -36.76 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -81.82 -44.55 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -55.17 -52.86 61.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.6 mt -49.87 -48.51 51.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.51 -43.04 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.1 m -55.48 -60.15 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -53.62 48.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.59 -37.57 73.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.24 -58.32 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 10.5 ptpt -56.44 -33.93 66.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 17.4 mmtt -57.58 -41.17 80.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 mtm -61.23 134.04 56.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -96.07 -46.83 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -53.4 135.25 39.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -70.6 -58.85 3.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.3 m -38.26 -58.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -52.43 -40.16 61.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.416 ' HB3' ' HE2' ' A' ' 63' ' ' MET . 51.9 mtp -67.84 -40.87 83.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -49.03 -47.31 44.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -67.3 -59.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG3' HD11 ' A' ' 70' ' ' ILE . 14.0 tptp -46.65 -41.58 14.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.65 -69.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.543 ' HA ' HD22 ' A' ' 96' ' ' LEU . 6.9 ptmt -66.75 -38.94 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -46.32 -55.65 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.401 HD11 ' HG3' ' A' ' 66' ' ' LYS . 43.5 mt -65.14 -46.28 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 1.1 t80 -52.04 -47.48 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.5 mmm -72.41 -0.96 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.3 m -86.64 -60.43 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -117.97 -30.25 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 91' ' ' LEU . 33.2 mt -79.1 17.61 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -103.45 163.96 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.5 p -75.33 -41.84 55.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -91.35 17.91 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.83 105.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 t -51.15 -31.01 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -126.64 102.12 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -107.78 129.23 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.86 176.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 0.5 OUTLIER -101.59 123.19 45.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.849 HG11 HD22 ' A' ' 107' ' ' LEU . 17.6 m -151.85 150.09 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -115.51 114.09 24.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.63 43.22 6.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.566 ' HG3' HD21 ' A' ' 107' ' ' LEU . 3.1 tt0 -110.11 -37.45 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.4 p -40.12 -30.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.73 -33.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 75' ' ' LEU . 1.4 pt? -64.9 165.89 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.653 ' O ' HG22 ' A' ' 95' ' ' ILE . 17.7 m120 -163.39 160.53 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.4 mt-10 -35.79 -31.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -57.94 -45.65 86.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 92' ' ' ASN . 11.8 tt -42.85 -23.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.543 HD22 ' HA ' ' A' ' 68' ' ' LYS . 26.4 mt -75.17 -38.15 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 96' ' ' LEU . 39.2 mt-10 -32.09 -63.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 27.5 mt-10 -111.1 102.04 51.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.74 130.58 19.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.478 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.58 147.65 18.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.903 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 53.8 Cg_endo -69.76 18.78 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.2 mt -114.82 -18.73 11.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.586 ' HB2' HD11 ' A' ' 95' ' ' ILE . 9.4 ptm -58.3 -46.25 86.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 105' ' ' GLN . 13.2 m-85 -94.16 -36.47 12.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.5 tp-100 -32.02 -50.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -49.01 -50.83 34.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.849 HD22 HG11 ' A' ' 85' ' ' VAL . 30.4 mt -67.42 -40.23 85.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -47.98 -30.38 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -71.46 -64.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.425 ' HA ' ' ND2' ' A' ' 113' ' ' ASN . 7.4 pt20 -53.91 -41.77 68.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.5 mm -65.1 -43.15 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -53.33 -54.8 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 1.9 p30 -66.52 -43.01 86.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 tp -40.93 -47.16 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 39.5 mtm -85.47 -54.92 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -46.17 -24.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 3.6 m-85 -77.99 -63.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 119' ' ' SER . 0.3 OUTLIER -96.49 -68.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -32.17 -69.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -43.42 -64.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.0 m -45.0 -41.91 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.417 ' HD3' ' CE ' ' A' ' 125' ' ' LYS . 53.4 mmt-85 -68.32 -40.55 81.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -48.94 -53.89 17.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 63.9 mt -57.99 -46.64 84.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.417 ' CE ' ' HD3' ' A' ' 122' ' ' ARG . 49.1 mtmt -58.71 -43.12 90.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.3 p -54.45 163.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' LEU . 8.8 p-10 -76.62 -42.76 41.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.1 mt -35.2 -44.06 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -80.97 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 131' ' ' LYS . 37.6 mt -38.73 -51.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 130' ' ' LEU . 22.8 tttm -33.78 -58.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -59.78 -48.53 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 42.3 tttt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.735 0.302 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.4 m -78.79 -55.91 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.554 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 44.4 p -44.45 -49.13 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.01 -46.45 16.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -58.16 -50.39 73.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 7.3 m0 -59.94 -48.91 79.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.41 87.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.99 -58.71 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -153.3 132.9 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 112' ' ' PHE . 42.6 tp -38.56 -51.74 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 24.4 mt-10 -38.97 -62.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -39.03 -43.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.5 tp -66.89 -44.45 80.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.444 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 64.1 mt -64.36 -36.71 85.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 1.6 mm-40 -74.99 -55.02 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . 7.2 m-20 -53.41 141.16 43.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.594 0.711 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -38.85 7.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.6 2.2 . . . . 0.0 112.377 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.18 -41.53 73.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA3' HD12 ' A' ' 22' ' ' LEU . . . -61.05 -43.82 98.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ASP . 92.4 t -64.65 -43.74 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -60.09 -45.25 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.6 mmt-85 -68.56 -46.44 69.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.65 ' HD2' HG11 ' A' ' 45' ' ' VAL . 3.5 t80 -48.89 -50.91 32.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HA ' HD12 ' A' ' 36' ' ' LEU . 15.6 mtp180 -55.24 -46.56 76.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.01 -52.41 25.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -62.45 -42.75 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 33' ' ' ARG . 76.9 mt -58.77 -59.9 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' LEU . 9.1 tmtt? -37.0 -45.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -43.78 -56.37 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.82 15.8 19.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 55.47 40.71 31.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -106.2 17.08 24.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ASN . 45.1 tt0 -57.6 -58.14 9.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.813 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.7 pt-20 -34.42 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLU . 34.8 m-20 -43.85 -66.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.65 HG11 ' HD2' ' A' ' 32' ' ' PHE . 33.8 m -66.65 -36.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 43' ' ' GLU . 82.7 mt -47.87 -39.93 20.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 16.8 t80 -74.96 -43.74 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.539 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 83.9 t90 -60.78 -57.76 11.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.73 -45.96 58.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.0 -46.76 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.0 m -46.84 -45.02 19.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 16.6 mm-40 -67.16 -34.3 77.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.4 m-20 -71.68 -58.8 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.546 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 26.8 t80 -40.15 -34.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 15.2 ptpt -85.63 -30.67 23.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -64.74 -35.83 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.493 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 38.0 mtm -63.06 143.41 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -97.24 -43.48 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -53.94 142.79 23.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -87.93 -39.42 14.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' GLN . 22.0 m -57.84 -65.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -40.42 -39.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.546 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 4.1 mtp -59.93 -43.22 95.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' THR . 55.1 mt-30 -44.28 -42.41 6.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -75.17 -69.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HG3' HD11 ' A' ' 70' ' ' ILE . 18.8 tptt -38.55 -42.88 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.34 -69.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HA ' HD22 ' A' ' 96' ' ' LEU . 7.6 ptmt -62.16 -34.38 76.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.41 -38.33 77.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.467 HD11 ' HG3' ' A' ' 66' ' ' LYS . 64.8 mt -81.32 -16.35 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -95.07 -25.7 16.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.423 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 13.0 mtp -91.54 9.34 32.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.584 HG23 ' CG ' ' A' ' 74' ' ' PHE . 7.4 t -117.86 -39.57 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.584 ' CG ' HG23 ' A' ' 73' ' ' THR . 1.9 m-85 -117.96 -37.44 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.763 HD13 ' CD1' ' A' ' 91' ' ' LEU . 19.4 mt -88.51 17.81 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 1.5 t -115.0 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.1 p -64.84 155.04 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt 56.24 36.45 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB3' ' HB2' ' A' ' 82' ' ' GLN . . . -90.33 175.11 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.1 m -101.94 -37.69 8.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.492 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.8 m -99.34 17.79 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.443 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 48.6 tt0 -52.22 106.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -60.71 177.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -102.53 108.46 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.35 134.56 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.41 -66.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.17 -88.97 2.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.715 ' HG3' HD22 ' A' ' 107' ' ' LEU . 34.4 tt0 53.36 43.18 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.3 m -117.88 -22.92 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -42.2 -31.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.763 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.4 pt? -78.08 165.99 23.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.725 ' O ' HG22 ' A' ' 95' ' ' ILE . 2.3 t-20 -164.5 165.34 21.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.5 mt-10 -33.16 -35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' ASN . 37.0 mtmt -54.63 -49.94 69.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 92' ' ' ASN . 14.9 tt -43.64 -23.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 68' ' ' LYS . 39.2 mt -76.51 -37.8 56.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 96' ' ' LEU . 26.6 mt-10 -34.32 -63.33 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.0 OUTLIER -106.44 102.11 39.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.78 130.52 19.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.4 147.18 15.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.862 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 16.27 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 13.3 mt -108.33 -17.43 14.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.551 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 8.6 ptm -65.32 -44.32 88.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.3 m-85 -100.15 17.84 20.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.448 ' C ' ' OE1' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -73.65 -54.26 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt -67.1 -46.38 74.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.715 HD22 ' HG3' ' A' ' 88' ' ' GLN . 30.9 mt -47.58 -38.33 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.539 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 18.9 tt0 -60.47 -34.63 74.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.33 -64.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -49.17 -49.38 42.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.9 mm -63.73 -42.45 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.526 ' CE1' HD23 ' A' ' 19' ' ' LEU . 59.0 t80 -46.12 -49.72 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 114' ' ' LEU . 2.4 p-10 -74.28 -45.24 48.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 113' ' ' ASN . 12.1 tp -33.79 -66.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 30.9 mtm -65.46 -37.54 87.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -44.2 -28.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -117.74 -29.7 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -75.62 -61.06 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 120' ' ' TYR . 41.8 t -93.98 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.455 ' C ' ' O ' ' A' ' 119' ' ' SER . 64.2 t80 -33.11 -57.59 0.39 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.5 t -50.6 -53.95 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 124' ' ' LEU . 22.5 mmt85 -61.31 -60.51 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 122' ' ' ARG . 36.7 t80 -34.28 -34.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ARG . 90.5 mt -70.15 -51.64 29.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 122' ' ' ARG . 45.1 pttt -65.69 -37.42 86.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 125' ' ' LYS . 18.6 p -54.8 153.17 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -68.03 -41.72 81.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.0 tt -34.12 -46.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -81.63 -54.6 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 45.4 mt -49.14 -62.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 45.5 mmtt -34.14 -57.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -57.51 -60.87 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 54.9 tttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.321 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 m -47.35 -48.68 25.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.9 p -50.31 -47.48 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.38 -41.44 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -64.48 -45.52 86.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 22.1 m0 -64.9 -40.75 95.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.0 84.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.79 -45.92 78.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -168.17 162.83 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' LEU . 43.7 tp -65.14 -44.66 87.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -41.76 -43.26 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -62.9 -36.67 84.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.558 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 4.9 tp -73.69 -48.23 33.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD11 HD21 ' A' ' 19' ' ' LEU . 84.1 mt -63.24 -46.82 85.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 16.9 pt-20 -58.88 -43.19 90.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 2.0 m-20 -73.62 142.76 81.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -42.83 3.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.6 -41.57 97.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.62 -56.47 24.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -46.76 -48.14 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -55.03 -43.26 73.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -69.99 -53.7 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -43.5 -55.25 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' GLU . 47.7 mtp180 -48.4 -62.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.69 ' HB2' HD21 ' A' ' 128' ' ' LEU . 21.0 mt-10 -35.17 -49.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.22 -60.16 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.415 HD21 ' OG ' ' A' ' 119' ' ' SER . 54.6 mt -45.6 -50.28 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -41.17 -37.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -42.57 -60.84 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 9.2 pt-20 -92.66 17.98 9.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 58.71 46.13 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.423 ' OG ' ' CG ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -111.07 17.94 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.756 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 45' ' ' VAL . 61.8 tt0 -62.76 -35.02 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.71 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.2 pm0 -55.41 -38.63 69.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -42.95 -58.3 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.4 m -65.63 -40.23 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 43' ' ' GLU . 79.3 mt -47.16 -37.83 10.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -81.09 -41.43 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -58.15 -32.36 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mt -82.19 -39.29 23.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.07 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.0 p -55.16 -40.93 71.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.43 -57.52 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -50.55 -35.64 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 81.6 t80 -62.0 -57.06 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -26.4 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -65.83 -48.13 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.41 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 5.0 ptp -64.78 135.6 55.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -93.15 -36.57 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -52.1 121.47 6.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -68.2 -55.96 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' LYS . 43.2 m -36.62 -54.46 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -62.78 -38.85 92.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.443 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 40.2 mtp -61.09 -47.71 85.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -49.69 -40.49 40.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -73.32 -67.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -45.92 -35.57 4.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.17 -69.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HA ' HD22 ' A' ' 96' ' ' LEU . 23.0 pttt -62.78 -38.11 89.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -47.2 -60.77 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.408 ' O ' ' HB ' ' A' ' 73' ' ' THR . 20.0 mt -57.09 -41.58 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 75' ' ' LEU . 1.9 t80 -59.08 -47.2 86.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.464 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 94.9 mmm -66.04 -5.01 8.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 70' ' ' ILE . 27.4 m -87.12 -68.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 76' ' ' SER . 3.5 m-85 -106.44 -34.5 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 104' ' ' PHE . 18.9 mt -73.97 17.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.464 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -125.16 165.35 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.5 p -81.45 155.51 25.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 mptt 62.3 36.78 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.77 108.89 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.1 t -63.27 -43.95 96.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.6 m -80.5 13.6 2.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -52.85 125.33 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.04 168.62 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -98.74 105.82 18.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.639 ' CG1' HD11 ' A' ' 111' ' ' ILE . 34.3 m -140.21 170.38 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -127.52 110.55 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.94 45.57 2.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.488 ' HG2' ' CG2' ' A' ' 85' ' ' VAL . 5.0 pp0? -112.23 -30.82 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.944 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.7 p -52.48 -30.74 31.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -50.5 -27.58 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.57 HD11 HD11 ' A' ' 107' ' ' LEU . 87.0 mt -61.21 156.74 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.705 ' O ' HG22 ' A' ' 95' ' ' ILE . 11.6 m120 -151.9 154.72 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -43.05 -30.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -52.2 -44.01 64.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 92' ' ' ASN . 11.6 tt -47.18 -24.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 68' ' ' LYS . 33.6 mt -74.29 -34.41 63.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.1 mt-10 -34.66 -61.97 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -116.3 102.06 53.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.2 22.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.328 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.639 ' CD2' ' HB2' ' A' ' 102' ' ' LEU . 1.5 p-80 -153.19 152.69 28.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.533 0.683 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 6.22 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.639 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . 7.1 mt -111.64 17.97 19.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.554 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 9.4 ptm -91.35 -44.34 9.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.564 ' CE1' HD11 ' A' ' 75' ' ' LEU . 4.1 m-85 -111.12 17.95 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.89 -52.11 22.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -58.44 -55.74 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.624 HD23 ' NE2' ' A' ' 110' ' ' GLN . 11.7 mt -47.67 -40.07 18.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -57.52 -30.76 65.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.91 -65.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.624 ' NE2' HD23 ' A' ' 107' ' ' LEU . 25.5 pt20 -55.65 -43.54 76.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.639 HD11 ' CG1' ' A' ' 85' ' ' VAL . 33.5 mm -63.56 -38.21 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.7 -61.68 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -62.92 -40.74 98.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.3 tp -41.09 -55.47 2.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.421 ' HE2' ' O ' ' A' ' 111' ' ' ILE . 39.7 mtm -77.84 -48.26 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.43 ' HG3' ' CB ' ' A' ' 19' ' ' LEU . 28.0 ttpt -44.71 -21.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' MET . 59.7 m-85 -115.65 -35.62 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.78 -70.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 122' ' ' ARG . 48.9 m -66.62 -67.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 119' ' ' SER . 88.4 t80 -32.44 -63.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.7 p -42.52 -41.76 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 119' ' ' SER . 32.6 mtp85 -74.72 -50.87 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.52 ' HE1' HD23 ' A' ' 128' ' ' LEU . 35.5 t80 -38.38 -59.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 129' ' ' PHE . 80.1 mt -52.53 -40.34 62.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.64 -45.76 85.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.5 p -60.33 160.97 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.1 p30 -70.63 -38.64 73.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 34' ' ' GLU . 11.8 tp -32.76 -41.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 133' ' ' LYS . 35.4 t80 -88.82 -62.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 75.2 mt -43.73 -56.29 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -38.99 -52.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -52.77 -53.22 51.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 20.6 mtpt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -83.43 -45.73 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -54.36 -54.27 42.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.71 -46.82 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -58.58 -53.62 56.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.41 ' CD1' ' OD2' ' A' ' 25' ' ' ASP . 7.7 m0 -57.84 -42.86 85.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.56 90.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.44 -61.97 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.4 p -154.81 140.49 18.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.523 HD12 HD23 ' A' ' 22' ' ' LEU . 63.3 tp -44.03 -44.76 7.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -40.15 -59.13 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 18.0 m-20 -47.46 -55.51 8.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.619 HD21 ' CG ' ' A' ' 32' ' ' PHE . 2.2 tp -52.71 -27.2 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD13 ' CH2' ' A' ' 48' ' ' TRP . 80.3 mt -83.78 -44.08 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 2.6 pt-20 -61.36 -34.78 75.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD2' ' CD1' ' A' ' 15' ' ' TRP . 1.8 p30 -87.25 127.72 58.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.14 28.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' CD ' ' HB2' ' A' ' 25' ' ' ASP . 22.7 pm0 -78.22 -25.73 47.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -80.69 -43.99 8.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -52.85 -49.56 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -44.21 -53.43 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -61.64 -44.93 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.619 ' CG ' HD21 ' A' ' 22' ' ' LEU . 8.2 t80 -54.18 -55.08 31.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -50.61 -58.43 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -38.37 -47.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.23 -54.85 42.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.428 HD21 ' HB2' ' A' ' 119' ' ' SER . 52.0 mt -52.11 -49.56 63.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -39.79 -39.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -40.49 -49.79 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 6.3 pt-20 -107.45 10.82 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 62.1 47.3 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.43 ' OG ' ' CG ' ' A' ' 39' ' ' GLU . 1.1 p -112.09 13.6 20.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ASN . 37.1 tt0 -59.04 -44.54 91.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.655 ' HA ' HD12 ' A' ' 46' ' ' LEU . 25.3 pm0 -38.65 -27.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLU . 97.6 m-20 -56.97 -57.99 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 42' ' ' GLU . 15.9 m -69.84 -28.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 43' ' ' GLU . 60.8 mt -60.09 -41.22 92.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.524 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 7.5 t80 -75.67 -39.17 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CH2' HD13 ' A' ' 23' ' ' LEU . 90.9 t90 -57.06 -58.43 8.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD23 ' CZ3' ' A' ' 48' ' ' TRP . 9.8 mt -50.02 -47.98 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.25 -56.45 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 61.8 m -41.25 -61.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 24.2 mm-40 -53.94 -62.23 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -42.04 -40.07 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 21.7 t80 -56.0 -58.46 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -58.92 -18.15 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' MET . 48.9 mtpt -83.57 -34.22 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.491 ' HE2' ' HG2' ' A' ' 66' ' ' LYS . 6.0 mmt -36.94 -45.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 57.96 41.83 23.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' MET . 11.2 m-20 -153.36 150.8 29.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -85.02 -62.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.5 m -48.06 -60.69 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -49.61 -44.47 47.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.487 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 6.3 mtt -61.07 -54.67 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' MET . 53.3 mt-30 -35.37 -35.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' MET . 20.4 mt-10 -80.52 -68.67 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.491 ' HG2' ' HE2' ' A' ' 57' ' ' MET . 30.2 tptt -40.61 -42.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.71 -68.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.502 ' HA ' HD22 ' A' ' 96' ' ' LEU . 9.5 ptmt -62.4 -37.24 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -49.51 -62.09 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.74 -36.72 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.75 ' HA ' HD12 ' A' ' 75' ' ' LEU . 4.1 t80 -66.59 -24.16 66.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.4 mmm -97.01 8.04 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.476 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 95.4 m -97.91 -59.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 47' ' ' PHE . 1.1 m-85 -117.99 -38.56 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 71' ' ' TYR . 33.5 mt -61.27 -39.29 89.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -52.06 163.93 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 m -78.72 -44.23 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -79.36 16.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.98 110.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.4 m -54.72 -29.94 54.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -131.3 102.01 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -101.13 131.45 47.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.8 m -72.68 167.73 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -99.76 117.32 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.851 HG21 ' HB3' ' A' ' 88' ' ' GLN . 19.6 m -140.88 176.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -89.41 -49.1 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.19 80.55 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.851 ' HB3' HG21 ' A' ' 85' ' ' VAL . 9.3 pt20 -96.42 -39.37 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 88' ' ' GLN . 3.1 t -38.25 -26.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 88' ' ' GLN . 6.9 tpp180 -36.76 -32.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 89' ' ' SER . 3.5 pp -68.96 176.23 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.845 ' O ' HG22 ' A' ' 95' ' ' ILE . 6.8 t30 -168.08 158.59 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -40.48 -45.85 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 97' ' ' GLU . 2.9 ttpm? -48.25 -40.11 23.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.845 HG22 ' O ' ' A' ' 92' ' ' ASN . 9.0 tt -45.04 -24.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.502 HD22 ' HA ' ' A' ' 68' ' ' LYS . 59.5 mt -74.76 -36.05 62.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 96' ' ' LEU . 23.0 mt-10 -32.19 -68.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 2.4 tp10 -105.66 101.98 35.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.4 Cg_endo -69.72 127.82 15.17 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -150.54 147.52 21.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 53.5 Cg_endo -69.77 18.74 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.262 . . . . 0.0 112.389 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 100' ' ' HIS . 7.3 mt -117.62 -17.25 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.562 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 6.8 ptm -53.87 -38.71 65.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 75' ' ' LEU . 12.0 m-85 -106.13 -31.96 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 104' ' ' PHE . 22.2 tm0? -32.15 -42.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -67.44 -55.04 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 104' ' ' PHE . 9.7 mt -56.34 -46.25 80.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -50.99 -34.25 28.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -53.47 -62.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 22.1 pt20 -59.02 -42.51 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.479 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 42.7 mm -58.1 -39.14 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -55.21 -63.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 110' ' ' GLN . 7.3 p30 -60.39 -41.48 93.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 12.9 tp -39.43 -59.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 120' ' ' TYR . 43.8 mtm -70.34 -32.99 70.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -53.73 -29.71 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -116.18 -20.49 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 21.8 t70 -85.6 -65.24 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 120' ' ' TYR . 12.6 t -90.3 -65.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 119' ' ' SER . 28.8 t80 -33.08 -66.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 m -40.65 -48.03 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' A' ' 123' ' ' PHE . 81.6 mmt-85 -68.38 -62.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 122' ' ' ARG . 52.0 t80 -32.25 -41.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 122' ' ' ARG . 91.6 mt -62.21 -55.13 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 122' ' ' ARG . 41.1 pttt -62.58 -33.92 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 125' ' ' LYS . 15.0 m -55.99 171.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 128' ' ' LEU . 6.5 p-10 -87.96 -45.79 9.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 128' ' ' LEU . 3.0 tt -33.77 -39.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' LEU . 12.2 t80 -83.13 -66.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' PHE . 60.4 mt -36.65 -44.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -41.37 -54.72 2.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -49.64 -47.09 50.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 mttm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.747 0.308 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 m -68.07 -54.47 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.43 HG21 ' HA ' ' A' ' 133' ' ' LYS . 34.3 p -40.34 -38.32 0.79 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.53 76.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -56.56 -41.91 77.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -64.34 -46.2 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.91 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.13 -62.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 m -147.12 152.37 38.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 tp -62.17 -42.77 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -47.58 -47.3 28.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -56.61 -31.84 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 32' ' ' PHE . 5.0 tp -75.15 -52.93 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.67 -43.65 93.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -62.82 -38.28 90.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.63 142.2 61.34 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -56.44 -37.08 69.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.58 -60.34 6.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -40.83 -43.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -61.27 -42.8 99.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -70.71 -44.65 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CZ ' ' OG ' ' A' ' 119' ' ' SER . 2.1 t80 -57.75 -51.78 68.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.474 HH21 HD13 ' A' ' 49' ' ' LEU . 85.0 mtt180 -48.8 -54.19 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -45.6 -60.54 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -44.45 -49.47 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 33' ' ' ARG . 14.3 mt -59.51 -56.03 27.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' LEU . 3.6 tmtt? -35.41 -43.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -45.22 -58.22 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -90.21 16.38 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 56.24 40.79 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.427 ' HB3' ' ND2' ' A' ' 44' ' ' ASN . 23.8 m -110.45 17.86 20.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 44' ' ' ASN . 48.4 tt0 -59.21 -50.95 72.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.88 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.6 pm0 -43.27 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 41' ' ' SER . 20.0 m-20 -52.6 -65.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.85 -35.67 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 43' ' ' GLU . 80.8 mt -49.95 -34.12 19.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 13.9 t80 -79.91 -45.47 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -59.38 -51.32 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.474 HD13 HH21 ' A' ' 33' ' ' ARG . 22.7 mt -51.2 -54.1 28.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.61 -53.96 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 m -45.25 -56.25 5.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.15 -30.02 58.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 13.9 m-20 -77.72 -41.72 36.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -61.06 -21.76 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.1 ptpt -97.85 -32.99 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 57' ' ' MET . 9.2 ptpt -59.11 -35.4 73.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.47 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 29.4 mtm -64.05 159.1 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -115.65 -36.88 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.28 125.04 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -71.22 -42.66 68.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.1 m -57.83 -57.43 12.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -48.34 -30.44 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtp -73.22 -45.51 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -42.08 -33.15 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.91 -65.64 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -41.91 -32.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.52 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.506 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -67.27 -29.28 68.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 15.7 mt-10 -51.93 -62.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.1 mt -62.05 -37.74 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.853 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.5 t80 -60.21 -34.28 73.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.407 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 98.1 mmm -87.42 11.73 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.423 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 20.6 m -98.0 -68.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.443 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 1.9 m-85 -105.62 -45.12 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.068 HD13 HD11 ' A' ' 91' ' ' LEU . 22.0 mt -56.18 -35.67 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -57.62 168.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -87.19 -40.39 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -82.14 17.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 73' ' ' THR . . . -56.85 107.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.2 p -52.36 -28.98 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.409 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -135.08 101.94 5.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -99.7 143.64 29.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.6 m -81.21 165.19 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -83.98 103.4 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.816 HG21 ' HB3' ' A' ' 88' ' ' GLN . 2.8 m -144.59 175.29 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -92.53 -37.42 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.78 70.46 0.17 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.816 ' HB3' HG21 ' A' ' 85' ' ' VAL . 4.5 pm0 -79.41 -7.99 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.9 m -82.94 -0.16 47.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -42.15 -38.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.068 HD11 HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -77.95 163.31 26.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.992 ' O ' HG22 ' A' ' 95' ' ' ILE . 5.3 t30 -133.66 166.63 22.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -44.87 -36.9 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -50.88 -37.94 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.992 HG22 ' O ' ' A' ' 92' ' ' ASN . 5.1 tt -52.49 -26.95 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.506 HD13 ' CB ' ' A' ' 68' ' ' LYS . 80.9 mt -68.49 -26.31 65.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -42.49 -56.55 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -111.24 103.5 55.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.678 0.752 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 124.44 11.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.38 145.69 17.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 14.62 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.724 2.282 . . . . 0.0 112.322 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.439 ' H ' ' C ' ' A' ' 100' ' ' HIS . 7.6 mt -107.8 -20.48 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.527 ' HB2' HD11 ' A' ' 95' ' ' ILE . 5.6 ptm -54.65 -44.87 73.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 105' ' ' GLN . 8.5 m-85 -93.33 -35.7 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 104' ' ' PHE . 14.9 tt0 -33.66 -51.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -50.09 -60.62 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' ' 88' ' ' GLN . 9.9 mt -58.24 -43.22 87.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -46.67 -26.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -69.67 -59.45 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.461 ' OE1' HG11 ' A' ' 85' ' ' VAL . 3.1 pt20 -57.33 -46.59 83.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.26 -44.98 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -54.23 -46.94 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.59 -36.52 76.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -51.78 -46.69 64.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.0 mtm -82.3 -52.0 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -48.56 -28.34 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -78.47 -63.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 119' ' ' SER . 8.3 m-20 -89.28 -67.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.548 ' OG ' ' CZ ' ' A' ' 32' ' ' PHE . 7.8 t -33.64 -51.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -58.22 -62.63 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.4 m -47.05 -58.61 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -57.57 -41.06 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -52.2 -47.7 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.62 -64.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -44.79 -40.69 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.4 m -54.74 167.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -77.51 -43.65 31.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.1 mt -33.35 -34.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 127' ' ' ASP . 48.0 t80 -89.29 -67.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.546 HD23 ' HE2' ' A' ' 133' ' ' LYS . 9.7 mt -37.29 -40.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -61.61 -45.75 92.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 129' ' ' PHE . 1.9 t-160 -65.68 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.546 ' HE2' HD23 ' A' ' 130' ' ' LEU . 11.4 pttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.487 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 4.6 m -93.77 -45.7 7.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.467 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 3.0 p -44.2 -41.66 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.83 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -57.01 -54.38 47.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.487 ' CZ2' ' HB3' ' A' ' 11' ' ' SER . 10.0 m0 -54.61 -47.77 72.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.62 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.7 -46.4 58.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -165.12 152.96 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.984 HD23 ' CE1' ' A' ' 112' ' ' PHE . 30.7 tp -58.01 -44.88 87.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -44.13 -42.92 6.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.468 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 53.0 m-20 -64.71 -33.42 75.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 32' ' ' PHE . 4.4 tp -73.11 -41.72 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.629 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 81.8 mt -72.11 -46.34 57.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.468 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -60.98 -45.95 92.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 2.3 t70 -71.39 140.48 84.9 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.631 0.729 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.5 Cg_endo -69.67 -50.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -57.4 -41.72 80.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.49 -54.27 39.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.5 t -50.4 -44.48 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -58.59 -55.61 32.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -57.02 -47.91 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.801 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 24.3 t80 -55.48 -54.72 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -50.63 -45.13 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.52 -44.96 46.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -72.48 -50.35 26.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.801 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 79.9 mt -40.97 -53.44 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 36.8 tttt -35.41 -38.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -41.16 -66.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.01 17.61 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 58.41 46.37 15.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 p -107.1 16.97 23.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.28 -28.5 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.866 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -74.77 -38.55 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' OD1' ' OE2' ' A' ' 43' ' ' GLU . 2.7 m120 -39.28 -53.59 1.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 46' ' ' LEU . 27.4 m -72.93 -43.1 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' ' 43' ' ' GLU . 35.7 mt -41.13 -42.99 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -74.62 -34.91 62.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.629 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 56.7 t90 -66.59 -42.16 87.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ALA . 18.9 mt -61.66 -56.48 19.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -36.75 -46.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 91.1 m -48.49 -64.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 8.6 mm-40 -45.43 -30.89 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -78.1 -61.73 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -39.68 -32.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -89.29 -29.1 19.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 53' ' ' ASP . 8.2 ptmt -61.49 -40.38 94.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.4 ptp -77.43 146.85 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.27 -36.11 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -52.12 118.73 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' THR . 8.9 ttpp -66.21 -57.33 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' LYS . 18.5 m -36.82 -56.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -52.08 -46.73 65.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' GLN . 53.7 mtp -55.46 -53.18 59.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' MET . 90.6 mt-30 -35.15 -38.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -80.16 -66.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -39.82 -41.17 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.94 -68.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.559 ' HA ' HD22 ' A' ' 96' ' ' LEU . 7.1 ptmt -58.13 -35.28 71.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 4.6 mm-40 -53.84 -66.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.6 mt -52.73 -37.97 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.524 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 1.7 t80 -61.65 -52.01 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.405 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 93.1 mmm -69.72 1.95 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.3 m -95.78 -59.86 1.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -112.18 -31.5 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.838 HD13 HD22 ' A' ' 91' ' ' LEU . 22.5 mt -79.02 17.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 26.0 t -121.13 147.01 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -73.38 149.31 42.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? 61.19 37.41 17.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -82.65 121.83 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ALA . 15.2 t -36.32 -39.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m -138.84 114.08 9.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -113.78 146.91 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -87.85 139.95 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.475 ' O ' HD22 ' A' ' 114' ' ' LEU . 8.8 m-20 -71.2 120.25 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.431 HG21 ' CB ' ' A' ' 88' ' ' GLN . 6.6 m -149.31 152.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -66.98 -43.69 82.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -127.64 -92.84 0.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.7 ' HG3' HD22 ' A' ' 107' ' ' LEU . 11.6 tt0 57.57 35.05 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.327 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 91' ' ' LEU . 80.4 p -117.36 -37.69 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -38.18 -31.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.838 HD22 HD13 ' A' ' 75' ' ' LEU . 2.5 pp -71.5 165.27 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.766 ' O ' HG22 ' A' ' 95' ' ' ILE . 15.8 t-20 -168.03 169.17 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' ASN . 13.0 mt-10 -32.74 -37.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' ASN . 1.5 mmmp? -54.42 -48.36 71.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 92' ' ' ASN . 13.8 tt -43.87 -22.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.559 HD22 ' HA ' ' A' ' 68' ' ' LYS . 36.6 mt -78.15 -36.62 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 22.1 mt-10 -32.59 -65.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 63.0 mt-10 -108.84 101.99 46.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.632 0.729 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.78 127.99 15.37 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.52 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.5 OUTLIER -149.56 146.5 20.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.618 0.723 . . . . 0.0 110.803 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 18.14 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.725 2.283 . . . . 0.0 112.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 100' ' ' HIS . 6.0 mt -114.58 -21.15 10.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.52 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 9.2 ptm -52.85 -42.63 65.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.496 ' HE1' HD11 ' A' ' 75' ' ' LEU . 16.3 m-85 -99.27 -32.23 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 104' ' ' PHE . 1.1 tm0? -31.97 -44.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -66.81 -55.51 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.7 HD22 ' HG3' ' A' ' 88' ' ' GLN . 27.4 mt -53.28 -34.74 58.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.508 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 8.2 tt0 -57.6 -28.68 63.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -67.83 -64.7 0.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -49.0 -43.69 40.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.33 -48.82 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.984 ' CE1' HD23 ' A' ' 19' ' ' LEU . 41.2 t80 -48.23 -58.34 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' LEU . 14.5 m-20 -64.19 -47.36 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 84' ' ' ASN . 15.8 tp -36.85 -64.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 120' ' ' TYR . 35.2 mtm -66.6 -34.57 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -46.09 -31.89 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -116.12 -29.26 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -75.37 -59.53 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 120' ' ' TYR . 15.6 m -96.11 -67.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.495 ' CD1' HD13 ' A' ' 19' ' ' LEU . 87.7 t80 -32.34 -64.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 t -40.24 -52.05 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -65.03 -46.21 82.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -41.54 -66.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.9 mt -44.08 -52.76 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.63 -41.15 76.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.4 t -55.09 147.13 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 128' ' ' LEU . 9.7 m-20 -64.15 -41.57 97.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.1 tt -33.81 -43.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -84.59 -61.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.0 mt -39.75 -60.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -41.91 -58.26 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -57.19 -36.54 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.333 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 -55.89 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 p -48.68 -47.19 41.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.159 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.15 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -57.48 -42.52 82.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.418 ' HB3' HD13 ' A' ' 22' ' ' LEU . 14.9 m0 -64.79 -51.85 60.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.23 85.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.45 -58.56 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.2 m -155.48 147.77 23.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' GLU . 23.7 tp -51.78 -54.82 24.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' LEU . 35.2 mt-10 -35.0 -66.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' GLU . 46.7 m-20 -36.66 -39.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' LEU . 5.2 tp -68.0 -48.21 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD13 ' CH2' ' A' ' 48' ' ' TRP . 35.6 mt -60.05 -29.86 68.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.5 -51.12 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.08 139.19 87.8 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -31.3 20.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.52 -38.71 59.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.96 -44.84 93.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.83 -45.08 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -55.67 -43.99 76.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -74.2 -42.19 60.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -54.46 -54.63 38.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -46.05 -62.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -39.0 -51.02 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -55.07 -41.22 71.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.0 mt -70.93 -47.05 61.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.17 -44.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -50.2 -61.13 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -78.6 9.33 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 54.34 42.61 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB3' ' ND2' ' A' ' 44' ' ' ASN . 41.3 m -115.45 16.46 16.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 45' ' ' VAL . 32.6 tt0 -53.47 -48.39 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 46' ' ' LEU . 5.9 pt-20 -44.04 -22.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLU . 28.0 m-20 -54.55 -56.02 23.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 42' ' ' GLU . 15.8 m -72.01 -27.39 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 43' ' ' GLU . 76.9 mt -63.7 -39.88 95.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 41.0 t80 -76.67 -40.47 48.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.507 ' CH2' HD13 ' A' ' 23' ' ' LEU . 81.6 t90 -64.07 -44.75 91.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.0 mt -58.5 -56.07 26.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.33 -51.14 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.0 m -45.86 -63.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -50.43 -50.05 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -52.98 -40.83 64.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -57.45 -54.88 41.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.4 ptpt -62.98 -31.55 72.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 25.1 mtmt -59.65 -26.82 65.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.0 mtm -75.18 135.19 41.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -97.0 -40.28 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.89 134.76 55.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -69.23 -59.06 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 m -38.2 -62.57 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -48.31 -37.68 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mtt -72.05 -39.91 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -48.75 -44.43 38.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.55 -61.85 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' ALA . 38.1 tptt -42.18 -49.98 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' LYS . . . -33.25 -68.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.628 ' HA ' HD22 ' A' ' 96' ' ' LEU . 1.5 ptmm? -66.61 -33.33 75.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.57 -58.02 6.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.3 mt -63.98 -34.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.863 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.3 t80 -59.35 -39.5 83.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.427 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 6.0 mmt -87.6 15.77 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.698 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 57.4 m -98.01 -58.65 1.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.698 ' CE1' ' CG2' ' A' ' 73' ' ' THR . 1.2 m-85 -118.0 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.863 HD12 ' HA ' ' A' ' 71' ' ' TYR . 15.9 mt -64.72 -31.59 72.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.427 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -56.94 169.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.832 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 m -84.21 -45.78 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 13.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.14 113.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 t -62.92 -30.29 71.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB3' ' CD ' ' A' ' 43' ' ' GLU . 2.1 m -131.55 102.16 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -100.37 132.69 45.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.2 m -91.98 163.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -82.34 110.29 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG21 ' CD ' ' A' ' 88' ' ' GLN . 4.3 m -118.05 -36.27 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 52.08 47.25 25.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.66 58.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.572 ' CD ' HG21 ' A' ' 85' ' ' VAL . 6.1 pm0 -117.91 -30.7 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' ARG . 6.1 m -40.08 -33.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' SER . 26.5 mtt85 -38.07 -32.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 91' ' ' LEU . 1.4 pp -70.34 173.71 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.919 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.7 t-20 -162.1 160.02 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -45.95 -33.29 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -58.86 -36.93 75.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.919 HG22 ' O ' ' A' ' 92' ' ' ASN . 2.9 tt -47.02 -23.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 68' ' ' LYS . 35.0 mt -76.07 -34.88 59.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LEU . 41.6 mt-10 -34.77 -67.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 31.9 mt-10 -102.71 102.03 24.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.8 121.23 7.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.375 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.4 OUTLIER -147.35 147.44 28.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.561 0.696 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 14.17 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.432 ' H ' ' C ' ' A' ' 100' ' ' HIS . 3.5 mt -113.48 -10.32 13.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.718 ' HB2' HD11 ' A' ' 95' ' ' ILE . 10.3 ptm -60.56 -43.42 97.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 105' ' ' GLN . 17.9 m-85 -100.01 -30.93 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -33.4 -47.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -57.58 -56.93 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.87 -48.13 82.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -43.97 -57.27 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -44.51 -28.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.401 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 8.7 mm-40 -73.01 -49.08 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.7 mm -63.26 -41.8 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -48.82 -56.46 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 114' ' ' LEU . 2.5 p30 -63.28 -49.32 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.461 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 4.0 tp -40.89 -51.0 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 60.9 mtm -80.51 -56.02 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -45.66 -22.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -82.81 -63.67 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 119' ' ' SER . 5.5 m-20 -93.66 -68.3 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 118' ' ' ASP . 1.7 t -32.41 -69.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 123' ' ' PHE . 23.5 t80 -44.19 -68.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.3 t -41.51 -41.86 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.79 -35.03 74.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 120' ' ' TYR . 67.9 t80 -54.96 -56.62 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.36 -52.02 67.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -58.45 -33.69 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.424 ' O ' HD12 ' A' ' 130' ' ' LEU . 9.9 m -62.33 175.31 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 129' ' ' PHE . 1.7 m-20 -90.55 -39.89 12.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 127' ' ' ASP . 3.3 mt -36.09 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 127' ' ' ASP . 9.7 t80 -95.01 -68.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 126' ' ' SER . 20.0 mt -37.29 -40.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' LEU . 23.0 tttm -35.68 -66.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 133' ' ' LYS . 10.2 t60 -56.85 -47.96 79.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 132' ' ' HIS . 14.8 ttpp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.788 0.327 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 m -94.89 -46.08 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.493 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 70.9 p -45.95 -50.41 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.36 -56.39 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -48.15 -53.37 16.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 8.8 m0 -58.85 -45.51 89.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.55 92.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.99 -51.72 49.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -161.52 164.38 29.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 116' ' ' LYS . 61.2 tp -61.91 -46.14 90.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.76 -62.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.428 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 19.2 m-20 -42.01 -32.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 6.6 tp -74.64 -56.36 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.2 mt -57.54 -46.77 83.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -59.38 -43.05 92.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 3.8 t70 -80.64 140.93 51.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.576 0.703 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -51.3 -40.48 59.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.59 -49.65 71.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.3 t -56.58 -48.54 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -49.26 64.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -66.77 -46.2 76.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.487 ' CD2' HD11 ' A' ' 36' ' ' LEU . 6.9 t80 -54.24 -55.43 28.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 -42.25 -55.7 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -45.57 -61.14 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.458 ' HB2' HD12 ' A' ' 128' ' ' LEU . 22.6 t80 -50.35 -55.8 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 32' ' ' PHE . 94.9 mt -44.61 -55.98 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' LEU . 14.2 tmtt? -34.57 -44.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -44.28 -59.78 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -90.28 17.87 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 56.71 43.09 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.434 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.0 m -108.28 17.8 21.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 45' ' ' VAL . 35.8 tt0 -64.77 -51.24 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.773 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.1 pm0 -53.15 -38.25 62.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -40.24 -53.11 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 42' ' ' GLU . 11.3 m -70.39 -35.89 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 43' ' ' GLU . 79.7 mt -57.08 -36.89 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.549 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 25.3 t80 -80.58 -38.19 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.592 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 80.8 t90 -61.11 -45.93 92.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.98 -51.38 62.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.76 -41.45 6.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -54.51 -61.61 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -57.68 -35.5 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -73.81 -25.02 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 37.2 t80 -74.94 -29.31 60.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.43 -29.67 20.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 53' ' ' ASP . 10.3 ptmt -60.81 -35.66 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.39 137.89 58.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.1 -44.03 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 129.06 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 63' ' ' MET . 18.9 tptm -66.21 -48.31 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.5 m -46.6 -56.89 5.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -50.03 -36.08 27.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.418 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 6.3 mtp -70.25 -45.13 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -40.62 -49.01 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' LYS . 22.2 mt-10 -70.27 -68.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' GLU . 25.0 tptt -36.16 -35.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . -53.47 -70.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.78 -31.56 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 3.1 tt0 -54.87 -36.78 65.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.2 mt -85.97 -47.59 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.586 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.5 t80 -54.76 -43.36 72.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 11.2 mmt -72.73 2.6 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 m -96.33 -67.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -106.24 -32.78 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.621 HD13 HD12 ' A' ' 91' ' ' LEU . 17.5 mt -76.55 17.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -129.68 135.53 48.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -43.12 -68.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -65.63 102.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB3' ' HG3' ' A' ' 82' ' ' GLN . . . -155.37 124.66 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.8 t -61.04 -37.76 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -130.41 106.82 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.45 ' HG3' ' HB3' ' A' ' 79' ' ' ALA . 4.8 mt-30 -110.68 154.95 23.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.91 170.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.84 113.91 25.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG12 ' CD ' ' A' ' 110' ' ' GLN . 34.5 m -157.06 136.34 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 87' ' ' GLY . 52.2 mt-10 -81.39 121.75 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 86' ' ' GLU . . . 31.15 48.53 0.2 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.485 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 38.9 tp60 -117.15 -32.79 4.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -79.86 12.13 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -81.59 16.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.621 HD12 HD13 ' A' ' 75' ' ' LEU . 63.1 mt -54.56 153.31 5.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.64 ' O ' HG22 ' A' ' 95' ' ' ILE . 68.9 m-20 -99.06 179.25 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -88.92 -20.69 24.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -30.59 69.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 92' ' ' ASN . 2.3 tt -60.76 -42.29 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 71' ' ' TYR . 24.3 mt -50.83 -34.87 29.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 96' ' ' LEU . 73.5 mt-10 -32.64 -64.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -110.98 102.16 51.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 133.06 24.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.357 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -150.96 148.37 22.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 110.839 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 10.21 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.54 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 8.3 mt -112.4 17.28 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.593 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 10.6 ptm -95.72 -41.24 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.593 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.3 m-85 -103.74 -33.27 8.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -38.69 -47.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -60.35 -53.53 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.485 ' CD2' ' HG3' ' A' ' 88' ' ' GLN . 17.3 mt -55.53 -41.05 72.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.592 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 37.5 tt0 -48.87 -30.53 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.02 -62.3 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 17.9 pt20 -58.11 -37.56 74.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.485 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 42.2 mm -63.79 -44.97 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -56.25 -52.4 64.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 3.4 m-20 -67.28 -49.1 65.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 113' ' ' ASN . 15.1 tp -37.18 -48.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.458 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 33.7 mtm -81.74 -61.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.477 ' HB2' HD22 ' A' ' 19' ' ' LEU . 11.9 ttpt -40.56 -27.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 5.0 m-85 -73.68 -68.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 119' ' ' SER . 36.1 t0 -95.16 -68.3 0.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 118' ' ' ASP . 70.7 m -32.11 -63.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.406 ' CB ' ' HA ' ' A' ' 116' ' ' LYS . 70.4 t80 -54.81 -62.55 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.8 t -40.67 -57.23 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 123' ' ' PHE . 54.7 mmt-85 -53.16 -51.46 61.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 122' ' ' ARG . 15.2 t80 -34.09 -60.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 97.1 mt -47.08 -54.72 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -56.72 -41.95 78.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.6 m -55.27 141.56 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.9 m-20 -56.89 -40.31 75.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 35' ' ' PHE . 12.4 mt -35.51 -41.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -89.96 -51.84 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 131' ' ' LYS . 16.7 mt -55.7 -60.33 3.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 130' ' ' LEU . 19.9 ttpp -34.04 -59.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -51.98 -61.07 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.4 tttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.433 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.744 0.307 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 13.0 m -95.3 -67.26 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.578 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 58.8 p -44.37 -34.78 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.08 -50.2 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HG2' ' CD1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -69.07 -26.57 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 29.2 m0 -70.05 -53.25 18.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.32 -43.11 92.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.89 -50.96 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 m -164.23 152.69 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 120' ' ' TYR . 53.0 tp -59.05 -47.36 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -42.97 -55.27 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' OD2' ' A' ' 25' ' ' ASP . 29.8 m-20 -49.0 -51.15 32.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 4.2 tp -61.3 -28.67 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 49.3 mt -75.47 -34.58 60.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.23 -56.23 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 22' ' ' LEU . 1.2 p30 -56.6 127.88 73.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -24.39 29.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 16.9 pm0 -82.73 -25.92 32.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -81.02 -36.56 21.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.8 t -72.54 -43.66 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 111.081 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HE2' ' CZ ' ' A' ' 31' ' ' ARG . 11.2 ptmt -45.23 -40.12 7.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.493 ' CZ ' ' HE2' ' A' ' 30' ' ' LYS . 4.3 mmt-85 -74.98 -60.77 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.797 ' CD2' HD11 ' A' ' 36' ' ' LEU . 1.9 t80 -33.78 -60.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' PHE . 41.9 mtp180 -37.88 -52.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.652 ' HB2' HD21 ' A' ' 128' ' ' LEU . 10.1 mt-10 -44.27 -68.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.55 ' HB2' HD22 ' A' ' 128' ' ' LEU . 78.8 t80 -50.16 -60.36 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.797 HD11 ' CD2' ' A' ' 32' ' ' PHE . 48.8 mt -40.34 -58.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -35.23 -50.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -46.31 -59.85 2.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -82.11 14.96 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 57.95 47.38 15.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.405 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.5 t -114.84 -5.67 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -53.03 -40.8 64.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.745 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -64.03 -24.83 67.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -56.97 -60.28 3.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.26 -28.19 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 43' ' ' GLU . 38.1 mt -57.59 -36.57 71.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 19.0 t80 -80.17 -43.41 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.509 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 84.9 t90 -57.22 -56.12 25.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.0 mt -44.03 -47.26 8.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.23 -46.54 75.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.0 m -45.57 -58.79 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.33 -63.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.77 -38.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -60.49 -60.38 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 14.3 ptpt -59.03 -30.03 67.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 32.7 mtmt -63.83 -38.74 92.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 69.5 mtm -59.45 127.68 33.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -87.02 -45.21 10.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.64 122.22 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -66.35 -49.27 67.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.0 m -44.02 -59.8 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -49.31 -47.17 47.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLN . 25.1 mtp -54.53 -52.34 62.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' MET . 80.9 mt-30 -37.97 -42.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.22 -66.97 0.62 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -40.83 -34.56 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.13 -67.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.519 ' HA ' HD22 ' A' ' 96' ' ' LEU . 2.7 ptmm? -62.97 -32.3 73.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -52.56 -66.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.9 mt -57.06 -37.84 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.571 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.7 t80 -61.69 -41.32 97.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.415 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 9.4 mmt -75.94 6.67 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.47 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 78.3 m -97.97 -68.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -108.75 -28.86 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.597 HD11 ' CE1' ' A' ' 104' ' ' PHE . 12.3 mt -77.79 14.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -124.9 161.95 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.8 m -75.96 156.57 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.5 tttm 54.82 39.08 31.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -74.36 116.07 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ALA . 59.6 m -34.61 -51.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.0 m -125.58 104.64 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -97.37 162.32 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.1 m -114.08 177.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -104.2 104.94 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 34.9 m -139.45 168.93 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -129.57 119.43 23.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.0 43.42 10.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -95.37 -50.12 5.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.492 ' N ' ' CD ' ' A' ' 88' ' ' GLN . 2.2 m -38.0 -27.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 88' ' ' GLN . 8.4 ttt180 -37.0 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 71' ' ' TYR . 3.5 pp -70.41 175.2 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.781 ' O ' HG22 ' A' ' 95' ' ' ILE . 68.2 m-20 -168.41 158.0 9.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' ASN . 27.1 mt-10 -36.6 -38.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -51.15 -47.62 62.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.781 HG22 ' O ' ' A' ' 92' ' ' ASN . 7.3 tt -43.06 -26.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.543 HD21 ' CG ' ' A' ' 71' ' ' TYR . 38.4 mt -74.23 -38.06 63.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 8.5 mt-10 -34.04 -66.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 8.0 mm-40 -105.51 101.99 35.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.7 131.9 22.31 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.36 149.66 18.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.405 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.0 Cg_endo -69.86 10.62 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.413 ' H ' ' C ' ' A' ' 100' ' ' HIS . 6.1 mt -106.06 -14.14 15.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.62 ' HB2' HD11 ' A' ' 95' ' ' ILE . 10.2 ptm -65.17 -42.38 93.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.597 ' CE1' HD11 ' A' ' 75' ' ' LEU . 5.4 m-85 -110.6 17.8 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.48 -44.17 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -73.08 -49.24 29.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.2 mt -53.95 -30.44 46.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.509 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 10.8 tt0 -71.48 -31.43 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.06 -65.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.413 ' HB3' HE21 ' A' ' 110' ' ' GLN . 1.7 pt20 -44.84 -48.22 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.507 ' O ' ' HE2' ' A' ' 115' ' ' MET . 27.5 mm -63.48 -41.31 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.4 ' CD1' HD23 ' A' ' 19' ' ' LEU . 44.5 t80 -56.93 -63.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -62.09 -30.4 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.66 -68.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.507 ' HE2' ' O ' ' A' ' 111' ' ' ILE . 29.3 mtm -61.96 -27.43 68.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -56.19 -31.53 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -117.23 -18.17 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.08 -67.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 120' ' ' TYR . 5.4 p -97.47 -59.08 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 115' ' ' MET . 61.4 t80 -32.77 -53.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -49.7 -50.85 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 125' ' ' LYS . 1.9 mpt_? -68.25 -62.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 122' ' ' ARG . 36.7 t80 -34.79 -34.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 122' ' ' ARG . 25.5 mt -68.05 -48.68 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 122' ' ' ARG . 15.9 pttm -66.59 -34.48 77.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.8 p -57.75 177.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 128' ' ' LEU . 21.2 p-10 -83.16 -42.83 16.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 34' ' ' GLU . 10.0 tp -34.15 -38.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -90.9 -66.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 131' ' ' LYS . 78.6 mt -42.66 -53.99 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -33.97 -61.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 133' ' ' LYS . 4.8 t60 -41.72 -63.92 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' HIS . 23.0 mttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.496 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 68.6 m -57.79 -54.86 42.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.448 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 42.7 p -41.15 -56.25 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.14 -44.35 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -63.06 -58.04 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.496 ' CZ2' ' HB3' ' A' ' 11' ' ' SER . 10.5 m0 -51.52 -40.87 60.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.79 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -48.85 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.6 p -168.13 160.45 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 22' ' ' LEU . 32.0 tp -60.53 -44.95 95.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -42.11 -47.29 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.471 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 1.4 m120 -60.32 -32.87 71.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 32' ' ' PHE . 4.6 tp -73.41 -44.45 58.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.679 HD13 ' CH2' ' A' ' 48' ' ' TRP . 75.6 mt -68.13 -46.58 70.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 3.0 pp20? -60.62 -45.81 92.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.19 139.03 87.16 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -43.5 2.66 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -60.97 -40.5 93.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.66 -58.17 14.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -43.53 -52.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -49.14 -49.83 40.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -65.3 -50.54 65.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.716 ' CE2' HD11 ' A' ' 36' ' ' LEU . 9.8 t80 -49.42 -58.64 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH2' ' OE2' ' A' ' 42' ' ' GLU . 29.8 mtp-105 -44.35 -59.19 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -40.47 -57.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -52.97 -58.38 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.716 HD11 ' CE2' ' A' ' 32' ' ' PHE . 41.0 mt -48.72 -56.33 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' LEU . 7.1 ttpt -32.43 -47.6 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -45.74 -59.81 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -84.58 16.3 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 53.35 43.61 31.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.433 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.8 m -117.92 17.62 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.862 ' O ' HG22 ' A' ' 45' ' ' VAL . 37.8 tt0 -64.35 -55.05 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 1.0 OUTLIER -42.25 -34.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.417 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 47.9 m-20 -44.94 -40.97 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 42' ' ' GLU . 16.1 m -82.65 -32.86 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.7 mt -56.64 -39.73 74.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 14.0 t80 -76.98 -42.21 39.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.679 ' CH2' HD13 ' A' ' 23' ' ' LEU . 77.7 t90 -61.45 -57.09 13.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mt -47.01 -51.2 17.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.21 -37.77 55.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.7 m -57.53 -59.91 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 5.4 pt-20 -63.35 -31.56 72.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -74.94 -30.63 61.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -71.39 -28.94 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -91.18 -29.93 16.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -59.74 -35.57 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 66.1 mtm -60.13 159.62 9.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -115.88 -37.63 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.96 132.2 52.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -75.01 -45.38 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.5 m -55.77 -58.83 6.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -44.3 -41.18 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 mtp -61.7 -42.47 98.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -51.88 -45.58 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.98 -61.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -50.11 -33.23 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.53 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.447 ' HA ' HD22 ' A' ' 96' ' ' LEU . 11.5 pttt -64.0 -36.4 83.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.13 -64.09 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.2 mt -58.25 -39.18 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.625 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.3 t80 -58.51 -49.04 78.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.441 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 21.9 mtp -66.5 -5.9 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -82.59 -67.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 1.3 m-85 -111.1 -31.78 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 71' ' ' TYR . 23.1 mt -73.14 17.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 74' ' ' PHE . 37.3 t -120.35 158.34 27.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 t -79.05 144.3 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 59.51 41.47 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.01 136.89 46.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -48.51 -53.71 17.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.4 m -121.85 102.8 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -101.99 125.4 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.03 178.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.441 ' O ' HG13 ' A' ' 85' ' ' VAL . 73.8 m-20 -114.74 112.2 22.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.64 HG21 ' HB3' ' A' ' 88' ' ' GLN . 22.4 m -157.47 175.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -93.18 -61.66 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -115.3 104.8 1.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.64 ' HB3' HG21 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -140.45 178.04 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.419 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . 25.0 t 67.92 35.56 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -82.65 17.95 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -119.4 161.31 20.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.913 ' O ' HG22 ' A' ' 95' ' ' ILE . 6.5 m120 -127.45 158.37 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -36.66 -43.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 97' ' ' GLU . 1.3 mptp? -46.38 -44.36 16.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.913 HG22 ' O ' ' A' ' 92' ' ' ASN . 10.4 tt -41.56 -29.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 68' ' ' LYS . 59.6 mt -67.89 -39.99 83.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' LEU . 30.3 mt-10 -34.85 -60.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 64.7 mm-40 -114.45 101.99 54.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.73 143.07 49.78 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.469 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.81 146.78 14.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 19.02 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 100' ' ' HIS . 11.1 mt -111.63 -23.3 10.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.6 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 7.9 ptm -56.86 -47.0 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.6 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.9 m-85 -101.1 17.9 21.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -80.52 -58.07 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -61.24 -59.98 4.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.0 mt -46.83 -37.65 9.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.91 -34.88 79.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -59.87 -64.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -48.21 -50.29 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.74 -44.78 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -50.31 -47.82 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 68.0 m-80 -71.13 -45.41 63.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.6 tp -39.22 -49.84 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.481 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 29.1 mtm -82.72 -56.76 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 9.5 tttm -45.63 -23.75 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 3.4 m-85 -78.33 -67.56 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 119' ' ' SER . 1.0 OUTLIER -93.77 -67.01 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 118' ' ' ASP . 37.2 m -32.03 -70.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 116' ' ' LYS . 63.9 t80 -39.8 -51.73 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 m -59.78 -46.75 88.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -59.42 -40.76 87.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -58.37 -59.99 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.6 mt -44.21 -43.53 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.67 -43.57 79.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.0 p -54.88 145.98 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 128' ' ' LEU . 5.1 p-10 -58.01 -43.0 86.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.8 mt -33.32 -41.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.586 ' CZ ' ' HD2' ' A' ' 133' ' ' LYS . 38.3 t80 -84.09 -61.91 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 43.1 mt -42.58 -55.28 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 12.8 tttp -34.29 -62.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.405 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 2.5 t60 -46.06 -51.71 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.586 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 18.3 mtpp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.795 0.331 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -87.97 -50.0 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.518 HG21 ' CA ' ' A' ' 133' ' ' LYS . 2.5 p -55.38 -31.55 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.0 81.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -59.14 -44.15 92.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -61.21 -45.86 92.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.13 83.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.17 -59.27 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -148.39 142.47 25.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.522 HD23 ' CE1' ' A' ' 112' ' ' PHE . 37.7 tp -49.04 -46.97 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -45.81 -53.78 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -44.37 -36.58 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 5.2 tp -71.44 -55.19 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.418 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 58.7 mt -54.91 -46.72 74.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 18.5 pt-20 -63.04 -41.63 99.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.3 m-20 -72.05 137.89 82.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.45 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -55.89 -37.28 68.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.11 -60.71 6.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 25' ' ' ASP . 94.8 t -42.58 -41.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 111.146 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -64.06 -61.28 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -51.46 -46.59 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -53.53 -60.1 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -44.42 -45.93 9.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -48.82 -59.79 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -60.96 -41.19 95.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.2 mt -54.48 -38.5 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -53.4 -38.08 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -43.35 -46.84 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.89 9.78 32.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 63.27 44.09 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -111.05 17.22 20.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.667 ' O ' HG22 ' A' ' 45' ' ' VAL . 34.7 tt0 -65.03 -31.69 73.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 46' ' ' LEU . 4.9 pt-20 -63.31 -33.9 76.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.541 ' HA ' HG12 ' A' ' 83' ' ' VAL . 27.3 m-20 -45.68 -44.4 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 42' ' ' GLU . 18.0 m -78.73 -33.47 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 43' ' ' GLU . 29.8 mt -56.19 -34.16 65.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 36.2 t80 -79.2 -50.3 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.418 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 87.9 t90 -52.28 -47.84 65.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.71 -47.82 84.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.35 -46.7 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.7 m -52.92 -51.32 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' OE1' ' CH2' ' A' ' 48' ' ' TRP . 27.3 mt-10 -60.81 -55.02 38.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.83 -18.91 9.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CE2' ' SD ' ' A' ' 103' ' ' MET . 49.2 t80 -82.13 -42.41 19.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -84.41 -20.23 32.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -68.87 -39.83 79.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ptp -76.15 152.5 36.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.71 10.03 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.68 118.35 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -61.87 -58.68 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.9 m -41.56 -57.91 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -54.57 -43.12 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.9 mtp -59.74 -42.46 93.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -44.7 -50.59 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' LYS . 8.5 mt-10 -72.09 -68.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HG3' HD11 ' A' ' 70' ' ' ILE . 7.6 tptp -35.81 -40.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.78 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.774 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -70.06 -38.87 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' A' ' 66' ' ' LYS . 2.9 tt0 -48.3 -34.52 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.507 HD11 ' HG3' ' A' ' 66' ' ' LYS . 77.7 mt -86.09 -46.75 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.623 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.9 t80 -57.51 -30.79 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.8 mmt -86.65 5.97 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 m -97.96 -56.73 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 1.5 m-85 -117.89 -32.17 4.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 71' ' ' TYR . 19.3 mt -79.48 15.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -119.28 150.15 40.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.8 m -75.63 152.19 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? 54.16 43.56 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.69 130.39 37.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.7 t -45.52 -53.79 8.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -117.33 102.83 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -113.2 125.1 53.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 44' ' ' ASN . 27.5 m -66.35 142.05 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.91 115.98 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.606 ' CG1' HD11 ' A' ' 111' ' ' ILE . 30.6 m -149.77 122.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.35 120.62 21.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.58 84.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.44 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -54.82 161.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 91' ' ' LEU . 72.9 m -68.63 173.78 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -76.38 15.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.708 ' CD1' HD11 ' A' ' 107' ' ' LEU . 52.4 mt -51.98 143.43 13.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.817 ' O ' HG22 ' A' ' 95' ' ' ILE . 16.1 m120 -137.78 164.27 29.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 10.3 mp0 -57.43 -23.85 52.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -58.22 -37.02 74.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.817 HG22 ' O ' ' A' ' 92' ' ' ASN . 16.1 tt -52.25 -23.8 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 68' ' ' LYS . 16.0 mt -67.19 -29.25 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -52.59 -42.07 64.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 43.3 mt-10 -126.47 102.38 26.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.74 128.81 16.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -151.86 148.4 21.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 110.893 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.7 4.18 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.636 2.224 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 6.0 mt -103.56 17.87 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.568 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 7.0 ptm -88.34 -45.87 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.8 m-85 -109.37 16.85 22.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -63.15 -41.15 99.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 2.2 mppt? -75.8 -53.47 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.708 HD11 ' CD1' ' A' ' 91' ' ' LEU . 7.1 mt -51.88 -31.61 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.23 -27.63 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -74.06 -66.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -43.7 -43.95 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.606 HD11 ' CG1' ' A' ' 85' ' ' VAL . 39.6 mm -67.43 -39.91 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.522 ' CE1' HD23 ' A' ' 19' ' ' LEU . 30.6 t80 -58.72 -61.02 2.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -64.57 -30.47 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 22.8 tp -50.88 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' TYR . 34.8 mtm -65.38 -26.45 68.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -56.08 -31.16 62.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -117.97 -13.92 10.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.406 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 1.0 OUTLIER -89.99 -68.74 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 122' ' ' ARG . 64.5 m -90.78 -60.45 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 115' ' ' MET . 56.5 t80 -32.15 -46.72 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 m -63.72 -47.48 80.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -69.72 -61.08 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 129' ' ' PHE . 25.4 t80 -34.78 -32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' ARG . 64.8 mt -70.57 -62.8 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -42.78 -37.13 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.453 ' O ' HD12 ' A' ' 130' ' ' LEU . 6.4 t -56.98 177.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 128' ' ' LEU . 10.5 m-20 -97.71 -38.61 9.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.7 tt -34.16 -41.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 123' ' ' PHE . 2.4 t80 -92.3 -57.37 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.481 HD23 ' HD3' ' A' ' 133' ' ' LYS . 51.3 mt -53.7 -58.53 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 127' ' ' ASP . 0.5 OUTLIER -44.83 -30.32 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -78.05 -45.02 24.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.518 ' CA ' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 37.3 p -83.46 -49.9 8.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.799 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.445 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 37.1 p -38.96 -53.35 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.51 -44.28 68.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -60.52 -46.96 88.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 18.8 m0 -61.63 -50.91 70.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.29 -40.92 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.04 -54.62 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t -157.59 152.7 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.11 -41.01 91.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -47.23 -41.91 19.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -64.07 -35.68 81.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 5.8 tp -73.22 -50.12 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.612 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 31.5 mt -64.3 -45.57 87.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -61.33 -36.12 79.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 9.7 m-20 -87.27 142.76 33.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.84 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -51.52 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -46.19 -44.3 15.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.59 -61.98 6.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -42.65 -47.79 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -51.23 -53.06 38.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -65.38 -48.27 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.06 -45.96 64.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -54.59 -59.56 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -40.54 -54.0 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 122' ' ' ARG . 83.1 t80 -56.09 -64.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 69.9 mt -45.82 -59.02 3.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LEU . 1.1 tmmt? -36.4 -41.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -46.9 -49.32 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.59 17.93 19.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 60.52 38.71 18.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 t -102.62 -13.92 16.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.59 ' OE2' HD11 ' A' ' 46' ' ' LEU . 12.6 tt0 -43.03 -58.06 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.925 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 pt-20 -35.04 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.542 ' N ' ' O ' ' A' ' 42' ' ' GLU . 2.8 m120 -52.76 -66.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 46' ' ' LEU . 12.2 m -57.03 -39.51 66.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.925 HD12 ' HA ' ' A' ' 43' ' ' GLU . 81.9 mt -47.39 -38.8 13.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.538 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 4.3 t80 -79.68 -42.23 25.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.612 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 85.9 t90 -58.46 -47.35 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.4 mt -57.22 -55.51 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.51 -45.05 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.3 m -47.67 -56.05 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -66.85 -63.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.9 -39.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -57.97 -62.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.5 ptpt -56.39 -34.38 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 21.4 mtmm -60.77 -45.38 94.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 56' ' ' LYS . 14.6 mtm -34.41 -41.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 54.69 40.48 31.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -141.63 128.99 21.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -63.17 -61.19 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.2 m -47.81 -61.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -49.13 -40.57 33.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 mtt -66.69 -42.31 86.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -49.38 -38.57 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -81.48 -67.53 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' CB ' ' HE1' ' A' ' 57' ' ' MET . 31.5 tptt -41.25 -41.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -41.27 -67.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HA ' HD22 ' A' ' 96' ' ' LEU . 1.2 ptmm? -63.79 -35.84 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -50.92 -61.72 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.3 mt -57.94 -40.73 77.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.547 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 1.4 t80 -55.9 -51.02 69.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.411 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 84.1 mmm -69.44 -5.7 25.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 m -79.55 -63.07 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 1.7 m-85 -117.98 -30.96 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.731 HD22 HD21 ' A' ' 91' ' ' LEU . 28.7 mt -75.13 18.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 74' ' ' PHE . 3.8 t -107.49 165.31 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.4 p -80.62 -52.2 7.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -80.56 17.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' A' ' 82' ' ' GLN . . . -58.99 111.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.7 p -52.39 -33.51 43.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 m -125.59 104.4 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.468 ' HG3' ' HB3' ' A' ' 79' ' ' ALA . 5.7 mt-30 -110.37 147.69 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -104.81 165.51 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -85.6 129.26 34.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.836 HG21 ' HB3' ' A' ' 88' ' ' GLN . 2.4 m -143.58 170.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 8.1 pt-20 -111.54 -36.52 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -145.68 46.1 0.79 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.836 ' HB3' HG21 ' A' ' 85' ' ' VAL . 0.7 OUTLIER -96.06 -63.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLN . 3.3 t -36.8 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 88' ' ' GLN . 65.3 mtt180 -36.93 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.731 HD21 HD22 ' A' ' 75' ' ' LEU . 4.0 pp -61.09 174.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.737 ' O ' HG22 ' A' ' 95' ' ' ILE . 15.1 t-20 -165.87 166.35 17.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 92' ' ' ASN . 38.3 mt-10 -32.99 -37.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' ASN . 5.1 mmmm -53.06 -48.71 67.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 92' ' ' ASN . 8.4 tt -44.89 -23.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 68' ' ' LYS . 51.8 mt -77.86 -35.31 51.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 96' ' ' LEU . 18.2 mt-10 -32.06 -64.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.441 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 31.7 mt-10 -113.81 102.0 54.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.68 0.752 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.78 133.58 25.88 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.4 OUTLIER -152.96 148.74 20.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.84 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.4 Cg_endo -69.76 19.48 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.5 mt -115.58 -29.04 6.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.516 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 8.7 ptm -44.96 -43.13 8.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 10.5 m-85 -100.75 -29.38 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 104' ' ' PHE . 18.5 tt0 -31.98 -44.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 8.4 mptt -75.4 -49.73 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.423 HD12 ' HD1' ' A' ' 104' ' ' PHE . 31.9 mt -55.04 -34.05 63.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.594 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 30.3 tt0 -65.43 -30.94 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.0 -67.1 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -46.15 -51.12 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.3 mm -61.9 -41.4 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -56.94 -62.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 67.1 m-80 -55.94 -43.56 77.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' A' ' 118' ' ' ASP . 12.6 tp -42.1 -72.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.436 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 55.7 mtm -52.54 -29.99 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 113' ' ' ASN . 17.5 ttpt -47.85 -48.03 31.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.451 ' CE1' ' O ' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -115.47 3.87 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.484 ' HB3' ' O ' ' A' ' 114' ' ' LEU . 2.4 t0 -98.02 -63.7 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 121' ' ' SER . 14.1 m -97.68 -62.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.454 ' C ' ' O ' ' A' ' 119' ' ' SER . 74.9 t80 -32.92 -35.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 119' ' ' SER . 34.2 t -60.63 -61.78 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 11.5 ptp180 -68.17 -31.25 70.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -54.95 -35.5 64.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.39 -55.31 6.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -57.17 -35.23 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.6 p -54.44 163.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.5 m-20 -76.35 -41.16 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 127' ' ' ASP . 8.8 tp -33.99 -36.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 127' ' ' ASP . 32.6 t80 -96.06 -64.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 131' ' ' LYS . 25.5 mt -40.68 -50.98 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -33.99 -58.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 133' ' ' LYS . 8.4 t60 -65.63 -56.05 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 132' ' ' HIS . 2.0 ttpm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.742 0.305 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.4 p -59.6 -52.51 65.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.503 HG21 ' HA ' ' A' ' 133' ' ' LYS . 16.4 p -47.01 -32.72 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -46.68 66.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -57.56 -41.42 80.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.499 ' CD1' ' N ' ' A' ' 15' ' ' TRP . 9.9 m0 -62.46 -62.1 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.76 -33.66 10.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.59 -49.25 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.7 m -164.32 164.48 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 112' ' ' PHE . 56.6 tp -64.79 -45.83 84.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 23' ' ' LEU . 48.0 mt-10 -45.75 -65.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -38.47 -45.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 32' ' ' PHE . 6.0 tp -62.97 -44.37 96.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.538 HD13 ' CH2' ' A' ' 48' ' ' TRP . 38.2 mt -64.23 -43.67 94.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -56.13 11.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' HG23 ' A' ' 29' ' ' VAL . 12.2 t70 -53.47 139.88 47.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.638 0.732 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.8 Cg_endo -69.8 -42.84 3.02 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.45 -41.78 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.78 -41.32 97.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 25' ' ' ASP . 94.9 t -66.16 -41.84 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.118 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -50.2 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.424 ' H ' ' HD2' ' A' ' 31' ' ' ARG . 1.4 mpt_? -51.63 -50.1 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.73 ' CD1' HD21 ' A' ' 22' ' ' LEU . 2.1 t80 -41.52 -44.6 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -73.41 -33.7 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' ARG . 71.1 mm-40 -66.32 -45.09 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -40.25 63.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.17 -52.13 65.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -47.81 -37.24 13.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -53.03 -47.77 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -93.4 11.08 29.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 57.83 38.27 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.5 m -114.38 16.82 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' OE2' HD11 ' A' ' 46' ' ' LEU . 25.8 tt0 -70.06 -31.24 68.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 4.6 pt-20 -54.38 -20.43 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -63.62 -60.74 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 46' ' ' LEU . 23.2 m -66.33 -45.11 90.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.52 ' N ' HG23 ' A' ' 45' ' ' VAL . 16.9 mt -41.85 -37.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -80.44 -35.21 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.538 ' CH2' HD13 ' A' ' 23' ' ' LEU . 88.6 t90 -65.23 -52.16 56.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.72 -55.11 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.65 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.2 m -47.73 -62.73 1.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.05 -55.91 17.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -46.86 -42.45 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -56.68 -57.12 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 15.2 ptpt -61.68 -29.2 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 16.8 mtmm -63.19 -33.96 76.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.1 mtm -71.52 126.77 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -84.91 -50.03 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -52.68 128.27 25.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.415 ' CD ' ' HG3' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -70.41 -54.42 12.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.6 m -40.5 -56.56 2.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -52.68 -38.46 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.4 mtp -69.08 -43.0 75.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.415 ' HG3' ' CD ' ' A' ' 60' ' ' LYS . 26.6 mt-30 -42.61 -38.91 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -80.7 -64.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -40.15 -34.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.99 -67.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.536 ' CB ' HD13 ' A' ' 96' ' ' LEU . 2.5 ptmm? -62.89 -33.75 75.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -49.5 -58.27 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.4 mt -63.51 -48.13 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.636 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.4 t80 -57.02 -31.39 65.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.4 mmt -82.96 0.66 43.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.52 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 15.8 m -94.99 -72.35 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 1.5 m-85 -98.07 -61.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 71' ' ' TYR . 24.7 mt -37.9 -38.27 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.8 t -62.51 154.61 28.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -78.73 156.59 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.78 32.49 14.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.52 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -71.97 133.18 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 m -44.91 -25.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.0 m -151.67 109.72 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -109.51 150.29 28.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.2 m -99.38 165.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -98.59 126.18 44.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 88' ' ' GLN . 22.0 m -153.15 173.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -58.46 -54.53 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.72 85.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.539 ' HB3' HG21 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -74.64 -39.65 61.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.411 ' C ' ' N ' ' A' ' 91' ' ' LEU . 14.9 m -42.35 -27.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -45.08 -21.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.716 HD22 HD12 ' A' ' 95' ' ' ILE . 45.5 mt -81.33 161.38 23.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.822 ' O ' HG22 ' A' ' 95' ' ' ILE . 64.9 m-20 -153.75 152.48 30.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -40.14 -26.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -61.96 -46.43 89.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.822 HG22 ' O ' ' A' ' 92' ' ' ASN . 5.8 tt -46.61 -21.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.536 HD13 ' CB ' ' A' ' 68' ' ' LYS . 57.2 mt -73.89 -37.36 64.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 96' ' ' LEU . 48.3 mt-10 -34.03 -58.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 49.7 mt-10 -109.35 102.02 47.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.2 Cg_endo -69.75 127.22 14.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.486 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -154.5 148.73 19.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 5.55 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 2.5 mt -97.08 -20.29 18.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.572 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 7.9 ptm -59.48 -26.75 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 103' ' ' MET . 8.9 m-85 -116.12 -21.41 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -41.53 -51.24 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -62.82 -68.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -38.42 -45.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.446 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 44.6 tt0 -43.56 -65.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' GLN . 11.2 t70 -36.29 -58.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -44.7 -56.53 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.49 -48.42 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.463 ' CD1' HD23 ' A' ' 19' ' ' LEU . 31.2 t80 -42.25 -51.97 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.35 -45.14 56.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 tp -40.29 -68.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 120' ' ' TYR . 17.6 mtm -62.79 -18.2 62.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -65.84 -36.45 83.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.27 -5.61 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -92.54 -67.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 122' ' ' ARG . 22.1 p -97.08 -60.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 115' ' ' MET . 9.6 t80 -34.95 -43.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -41.75 99.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 119' ' ' SER . 6.2 ttp-105 -74.71 -37.74 62.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 126' ' ' SER . 35.6 t80 -50.82 -58.45 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 68.0 mt -43.64 -41.67 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -25.46 56.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 123' ' ' PHE . 22.6 t -57.98 175.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 129' ' ' PHE . 6.3 p-10 -91.85 -48.32 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 128' ' ' LEU . 1.9 tt -33.65 -34.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' ASP . 20.9 t80 -89.86 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 35.1 mt -36.24 -59.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 40.9 mttt -34.74 -54.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -72.12 -43.03 65.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.503 ' HA ' HG21 ' A' ' 12' ' ' THR . 6.7 ttpp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.47 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 69.4 p -97.94 -49.45 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.665 HG21 ' N ' ' A' ' 133' ' ' LYS . 24.7 p -54.18 -60.28 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.04 -44.77 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -58.83 -49.69 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 7.5 m0 -58.96 -49.36 78.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . . . -60.23 -41.02 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.049 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.49 -57.49 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -154.61 141.19 18.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 tp -48.84 -48.66 41.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -42.77 -52.5 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 76.9 m-20 -51.96 -36.65 50.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.448 HD21 ' CG ' ' A' ' 32' ' ' PHE . 3.2 tp -73.31 -42.49 62.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.66 HD13 ' CH2' ' A' ' 48' ' ' TRP . 40.3 mt -64.48 -46.3 83.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 13.6 pt-20 -58.33 -42.81 87.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.1 m-20 -73.01 134.81 80.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.611 0.72 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.89 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -55.06 -45.0 75.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.4 -57.17 21.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.708 HG12 ' HE ' ' A' ' 33' ' ' ARG . 78.7 t -42.09 -44.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -52.79 -61.29 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -51.63 -46.23 63.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.4 t80 -53.04 -57.17 11.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.708 ' HE ' HG12 ' A' ' 29' ' ' VAL . 37.8 mtm180 -46.42 -63.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' ARG . 2.9 mm-40 -32.86 -59.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -51.71 -67.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.641 HD22 HD21 ' A' ' 44' ' ' ASN . 74.7 mt -45.85 -58.76 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -37.55 -40.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -50.09 -45.51 52.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' OE1' ' NH2' ' A' ' 122' ' ' ARG . 8.6 pt-20 -95.05 13.55 24.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 53.04 44.9 29.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 33.7 m -116.82 -13.67 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.714 ' OE2' HD21 ' A' ' 46' ' ' LEU . 25.7 tt0 -39.72 -37.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 19.3 pm0 -36.7 -27.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.641 HD21 HD22 ' A' ' 36' ' ' LEU . 1.3 p30 -61.1 -59.87 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 42' ' ' GLU . 29.8 m -65.02 -39.65 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.714 HD21 ' OE2' ' A' ' 42' ' ' GLU . 95.3 mt -53.63 -38.08 63.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 2.2 t80 -83.74 -39.67 19.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.66 ' CH2' HD13 ' A' ' 23' ' ' LEU . 76.5 t90 -56.75 -52.24 65.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' CZ3' ' A' ' 48' ' ' TRP . 4.8 mt -55.47 -43.31 75.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.6 71.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.4 m -48.85 -62.66 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 11.6 mm-40 -52.67 -61.5 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -40.61 -44.47 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 55.6 t80 -54.03 -63.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 16.8 ptpt -55.5 -35.42 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 29.2 mtpp -57.8 -44.29 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 63.8 mtm -58.41 130.98 49.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -87.76 -44.75 10.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -53.58 136.67 38.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -78.64 -51.41 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.3 m -43.86 -58.08 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.7 -42.4 62.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.449 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 40.5 mtp -60.51 -44.95 95.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -48.94 -42.85 38.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 40.7 mt-10 -77.88 -55.27 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -50.64 -32.92 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.34 -68.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.498 ' HA ' HD22 ' A' ' 96' ' ' LEU . 14.5 ptmt -56.66 -42.41 78.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.91 -59.51 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.7 mt -57.15 -49.61 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -53.51 -44.48 69.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.463 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 97.3 mmm -68.07 -2.23 7.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 m -94.24 -69.26 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 2.3 m-85 -100.81 -36.13 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.901 HD13 ' CD1' ' A' ' 91' ' ' LEU . 15.7 mt -76.49 17.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 2.3 t -120.38 170.16 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.5 m -82.55 153.57 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.13 37.07 11.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 82' ' ' GLN . . . -91.77 116.84 29.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -68.56 -43.65 76.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.451 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -89.07 17.89 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.55 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 6.4 tt0 -54.29 113.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.33 175.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -118.11 113.02 20.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.444 ' HB ' ' NE2' ' A' ' 110' ' ' GLN . 35.2 m -149.8 164.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -96.05 122.09 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.79 44.59 14.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 90' ' ' ARG . 1.7 tm0? -73.16 -54.63 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' ARG . 42.7 t -44.62 -21.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 88' ' ' GLN . 17.0 ttm180 -37.52 -33.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.901 ' CD1' HD13 ' A' ' 75' ' ' LEU . 1.5 pt? -92.16 159.73 15.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.606 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.5 m120 -151.85 159.68 43.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 92' ' ' ASN . 2.4 mp0 -31.91 -38.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 92' ' ' ASN . 46.7 mmtt -49.89 -49.18 50.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 92' ' ' ASN . 13.0 tt -42.48 -24.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 68' ' ' LYS . 44.1 mt -73.71 -38.76 64.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' LYS . 52.1 mt-10 -33.04 -59.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 5.8 pt-20 -111.35 102.03 52.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.68 0.752 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.0 Cg_endo -69.75 131.77 21.94 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.23 148.06 16.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 0.0 110.832 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.456 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 52.9 Cg_endo -69.84 18.12 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.1 mt -112.43 -27.92 8.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.51 ' HB2' HD11 ' A' ' 95' ' ' ILE . 7.8 ptm -47.77 -43.37 27.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' GLN . 9.2 m-85 -96.3 -36.93 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 104' ' ' PHE . 19.5 tm0? -33.37 -44.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -63.19 -62.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 108' ' ' GLN . 15.3 mt -53.32 -52.01 60.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.537 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 62.0 tt0 -38.04 -53.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -41.62 -45.97 3.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.444 ' NE2' ' HB ' ' A' ' 85' ' ' VAL . 26.9 mt-30 -60.36 -61.05 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.438 ' N ' ' CD1' ' A' ' 111' ' ' ILE . 0.4 OUTLIER -52.26 -56.82 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' ILE . 89.7 t80 -37.4 -40.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.568 ' OD1' ' CD1' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -81.55 -43.75 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 113' ' ' ASN . 14.4 tp -36.01 -60.21 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.425 ' SD ' HG23 ' A' ' 111' ' ' ILE . 2.0 mpp? -66.59 -40.29 88.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 120' ' ' TYR . 19.5 ttpt -47.34 -23.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.568 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 25.0 m-85 -117.91 -30.33 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.64 -69.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 121' ' ' SER . 32.6 p -90.55 -59.09 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.507 ' CB ' ' HA ' ' A' ' 116' ' ' LYS . 56.9 t80 -34.59 -30.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 119' ' ' SER . 3.7 m -77.73 -68.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.448 ' NH2' ' OE1' ' A' ' 39' ' ' GLU . 14.6 ptt180 -63.15 -49.06 75.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -39.87 -54.0 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.0 mt -54.15 -44.42 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -70.58 -29.04 65.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 m -62.8 176.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.0 OUTLIER -82.55 -43.51 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.0 mt -33.43 -37.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 16' ' ' ALA . 26.3 t80 -98.0 -67.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' PHE . 12.3 mt -37.61 -46.92 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -60.03 3.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -55.31 -57.12 13.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.665 ' N ' HG21 ' A' ' 12' ' ' THR . 27.8 tttp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -114.99 118.97 34.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.896 0.379 . . . . 0.0 110.803 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -117.46 138.33 51.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.824 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.58 -98.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -144.95 144.01 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -77.58 149.84 34.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.66 -46.05 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.9 p -55.63 -28.33 54.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -62.53 146.37 51.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.577 ' N ' HD13 ' A' ' 9' ' ' LEU . 5.4 mptt -54.14 106.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 m -90.24 -54.12 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -39.11 -45.28 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.2 69.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -60.01 -57.56 12.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.437 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 11.4 m0 -54.02 -43.63 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HA ' HD21 ' A' ' 124' ' ' LEU . . . -62.9 -43.9 97.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.98 -57.98 7.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 m -151.34 135.5 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.545 HD23 ' CE1' ' A' ' 112' ' ' PHE . 50.0 tp -47.3 -40.71 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -49.75 -44.21 48.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -58.03 -31.85 67.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 32' ' ' PHE . 5.6 tp -78.27 -39.89 38.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.548 HD13 ' CH2' ' A' ' 48' ' ' TRP . 34.5 mt -68.53 -44.38 74.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 14.6 pt-20 -62.59 -39.79 94.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 33.8 m-20 -76.97 145.17 73.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -44.27 2.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.01 -45.83 86.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' CA ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.14 -50.12 66.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.43 -42.05 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -55.96 -49.55 73.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -73.33 -58.84 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.455 ' HB2' HD21 ' A' ' 22' ' ' LEU . 8.3 t80 -38.78 -49.26 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -53.08 -59.21 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -43.73 -51.45 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.517 ' HB2' HD22 ' A' ' 128' ' ' LEU . 4.1 t80 -52.86 -47.59 67.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' A' ' 42' ' ' GLU . 77.7 mt -67.49 -61.1 2.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -34.14 -36.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.1 mtpt -43.84 -57.74 3.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -93.29 16.0 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 54.04 45.08 28.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 m -114.0 -10.93 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.697 ' O ' HG22 ' A' ' 45' ' ' VAL . 8.5 pm0 -45.08 -32.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' OE2' ' C ' ' A' ' 81' ' ' SER . 8.5 pt-20 -38.48 -26.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.59 ' HA ' HG12 ' A' ' 83' ' ' VAL . 71.0 m-20 -62.16 -53.32 56.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 42' ' ' GLU . 26.9 m -65.34 -29.92 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.49 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.556 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 12.4 t80 -81.33 -39.84 24.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.548 ' CH2' HD13 ' A' ' 23' ' ' LEU . 85.5 t90 -60.81 -50.22 74.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 mt -53.26 -50.43 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . -50.73 -52.82 36.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 108' ' ' GLN . 82.3 m -35.7 -54.12 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.45 -63.22 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.28 -44.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 83.7 t80 -52.25 -59.46 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 9.7 ptpt -62.02 -33.27 74.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 31.3 mtpt -59.03 -58.52 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' LYS . 54.1 mtm -35.58 -40.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 53.36 38.43 27.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.935 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 63' ' ' MET . 8.0 m-20 -127.14 132.42 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -66.48 -59.36 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.0 m -51.06 -63.13 1.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -49.78 -40.62 42.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 5.2 mtt -63.95 -48.12 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -42.22 -38.09 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -81.48 -68.7 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -39.17 -37.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.9 -68.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HA ' HD22 ' A' ' 96' ' ' LEU . 12.9 pttp -62.7 -35.6 80.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -52.41 -62.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.1 mt -59.67 -44.8 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.558 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.3 t80 -54.57 -45.6 73.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mmm -75.65 2.83 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.408 HG22 ' CE1' ' A' ' 74' ' ' PHE . 25.5 m -92.27 -59.56 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -118.04 -28.98 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.59 HD13 HD22 ' A' ' 91' ' ' LEU . 21.2 mt -80.61 18.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -109.3 161.17 15.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.2 t -73.27 -45.24 56.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -82.88 17.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.86 112.75 3.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -59.12 -30.2 67.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.449 ' C ' ' OE2' ' A' ' 43' ' ' GLU . 2.2 m -128.05 101.99 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -105.45 115.23 29.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 44' ' ' ASN . 19.8 m -55.72 165.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.554 ' O ' HD22 ' A' ' 114' ' ' LEU . 44.8 t-20 -97.07 128.68 44.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 84' ' ' ASN . 17.0 m -156.58 173.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -75.1 -45.74 39.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.95 68.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 10.7 pt20 -90.19 17.57 6.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.8 m -80.37 -8.47 59.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -48.81 -31.33 6.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 75' ' ' LEU . 3.6 pp -68.07 171.33 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.716 ' O ' HG22 ' A' ' 95' ' ' ILE . 2.3 t-20 -167.78 167.74 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -37.7 -26.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 92' ' ' ASN . 48.1 mmtt -65.29 -46.39 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 92' ' ' ASN . 8.4 tt -45.12 -23.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' GLU . 34.0 mt -78.51 -35.08 46.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' LEU . 13.9 mt-10 -33.38 -67.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.1 pm0 -106.91 102.03 40.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.727 . . . . 0.0 110.825 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.2 Cg_endo -69.84 130.12 18.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 0.0 112.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.479 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.52 148.55 19.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.576 0.703 . . . . 0.0 110.851 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 53.8 Cg_endo -69.82 18.85 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.5 mt -113.91 -17.78 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.54 ' HB2' HD11 ' A' ' 95' ' ' ILE . 8.3 ptm -65.43 -38.17 89.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.574 ' HD1' HD12 ' A' ' 107' ' ' LEU . 25.2 m-85 -100.55 -37.63 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 104' ' ' PHE . 2.2 tp-100 -32.0 -48.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -72.22 -53.61 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.574 HD12 ' HD1' ' A' ' 104' ' ' PHE . 50.8 mt -50.23 -31.63 14.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.493 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 30.3 tt0 -75.91 -34.46 59.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.38 -56.71 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -55.3 -56.57 18.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.1 mm -47.37 -41.95 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.57 ' CE2' ' HD2' ' A' ' 116' ' ' LYS . 23.1 t80 -53.51 -52.38 59.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -37.54 87.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 84' ' ' ASN . 10.8 tp -54.53 -59.84 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 120' ' ' TYR . 49.9 mtm -65.92 -29.51 69.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.838 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.57 ' HD2' ' CE2' ' A' ' 112' ' ' PHE . 3.2 mtpm? -54.37 -35.08 62.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -116.77 -15.57 10.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 29.1 t70 -85.64 -63.58 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 120' ' ' TYR . 14.3 m -95.32 -62.99 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 115' ' ' MET . 30.5 t80 -35.6 -65.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 120' ' ' TYR . 1.7 m -37.18 -52.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.432 ' HG2' ' NZ ' ' A' ' 125' ' ' LYS . 33.5 mtm180 -65.47 -52.14 55.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.511 ' HE1' HD23 ' A' ' 128' ' ' LEU . 68.6 t80 -38.19 -44.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 16' ' ' ALA . 87.8 mt -62.9 -53.56 52.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.432 ' NZ ' ' HG2' ' A' ' 122' ' ' ARG . 10.5 pttm -81.58 15.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.2 m -100.75 154.36 18.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -60.29 -45.6 92.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.517 HD22 ' HB2' ' A' ' 35' ' ' PHE . 10.2 tp -40.15 -40.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -93.14 -56.16 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 131' ' ' LYS . 29.4 mt -43.93 -57.87 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 130' ' ' LEU . 17.4 mmtp -34.11 -54.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.471 ' HA ' HG22 ' A' ' 135' ' ' THR . 7.2 t60 -66.14 -43.58 86.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 130' ' ' LEU . 40.3 tttp -56.97 -34.26 67.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -77.58 -63.52 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 132' ' ' HIS . 12.6 t -49.98 -27.74 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.57 -59.61 4.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -132.1 137.79 47.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.46 172.57 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 1.1 pm0 -86.86 163.78 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -106.57 135.94 47.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.14 13.46 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 61.0 mt -85.62 152.19 56.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.569 0.7 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.29 2.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 54.5 p -66.55 117.35 8.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -119.11 -164.72 12.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 87.19 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.7 m -48.53 -53.16 19.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.2 t 57.06 41.81 26.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 59.79 42.96 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -84.38 150.98 24.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.58 -112.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.7 p -94.7 -47.33 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -108.48 148.78 29.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.44 91.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 m -105.28 166.06 10.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -91.59 -31.09 16.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -60.29 125.93 25.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 p -57.39 -47.71 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 p -43.24 -54.34 4.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.81 -42.09 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -63.92 -58.24 7.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -53.04 -52.34 58.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.32 77.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.49 -51.05 21.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.8 m -159.64 152.37 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 112' ' ' PHE . 20.7 tp -57.92 -44.53 86.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -45.71 -59.05 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 58.3 m-20 -40.58 -34.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' A' ' 32' ' ' PHE . 6.5 tp -72.48 -44.49 62.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.65 -46.57 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -60.86 -46.15 91.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.494 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 43.0 m-20 -72.44 143.34 85.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -50.4 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -50.76 -41.72 56.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.16 -63.89 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -38.25 -52.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' N ' ' HE3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -53.69 -56.92 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' PHE . 20.3 mmt-85 -59.83 -64.39 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.741 ' HB2' HD21 ' A' ' 22' ' ' LEU . 8.8 t80 -37.86 -54.79 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' GLU . 35.3 mtt180 -45.64 -66.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' ARG . 1.6 mm-40 -34.25 -58.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.588 ' CZ ' ' OE2' ' A' ' 39' ' ' GLU . 2.1 t80 -54.99 -45.08 74.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.74 HD11 ' CE2' ' A' ' 32' ' ' PHE . 84.0 mt -62.21 -60.05 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.3 ttmm -36.02 -52.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -46.67 -60.13 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.588 ' OE2' ' CZ ' ' A' ' 35' ' ' PHE . 9.3 pt-20 -75.41 6.5 4.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 63.14 41.6 7.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -111.96 -7.08 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.738 ' OE2' HD11 ' A' ' 46' ' ' LEU . 9.0 tt0 -53.75 -50.76 65.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.956 ' HA ' HD12 ' A' ' 46' ' ' LEU . 14.8 pm0 -40.34 -29.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -60.62 -60.17 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 42' ' ' GLU . 22.3 m -63.14 -35.15 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.956 HD12 ' HA ' ' A' ' 43' ' ' GLU . 84.6 mt -51.82 -40.65 60.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 23.1 t80 -79.88 -49.82 11.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.506 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 44.6 t90 -52.16 -40.5 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.36 -51.54 59.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.68 -27.75 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.0 m -66.7 -66.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.12 -24.75 11.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -81.41 -33.74 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -68.89 -24.06 64.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 3.6 ptpp? -95.57 -30.96 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 57' ' ' MET . 7.5 ptpt -59.28 -33.07 70.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.503 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 31.2 mtm -61.2 146.13 48.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -97.24 -47.95 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -56.6 140.69 45.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -82.91 -48.42 10.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.0 m -46.59 -56.2 6.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -50.25 -36.23 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.8 mtp -70.76 -41.95 71.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -46.95 -42.07 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -78.77 -60.19 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -48.41 -28.48 3.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.5 -66.69 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.535 ' HA ' HD22 ' A' ' 96' ' ' LEU . 14.6 pttt -65.37 -34.28 77.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -48.03 -66.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.4 mt -55.62 -37.04 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.738 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -60.14 -42.84 95.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 94.2 mmm -74.95 8.05 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.0 m -98.05 -68.46 0.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -111.55 -29.73 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.832 HD13 HD11 ' A' ' 91' ' ' LEU . 19.8 mt -75.37 10.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.9 OUTLIER -118.63 177.14 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.1 m -91.85 157.44 16.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp 62.07 34.53 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.77 113.39 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.1 m -62.97 -38.61 91.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.2 p -87.01 17.05 4.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.01 122.43 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.49 173.91 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -104.87 117.23 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.7 m -151.14 146.93 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -41.86 -58.22 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.95 110.51 1.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.65 167.06 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.4 m 63.29 32.05 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 mmm-85 -88.88 -32.01 17.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.832 HD11 HD13 ' A' ' 75' ' ' LEU . 1.3 pt? -71.72 125.34 26.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.875 ' O ' HG22 ' A' ' 95' ' ' ILE . 62.4 m-80 -73.7 169.32 17.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.86 -29.68 70.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -35.5 53.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.875 HG22 ' O ' ' A' ' 92' ' ' ASN . 4.4 tt -49.22 -21.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 68' ' ' LYS . 57.9 mt -75.47 -33.18 60.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -41.75 -64.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.432 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 9.9 pt-20 -105.16 102.02 33.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.646 0.736 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.0 Cg_endo -69.76 133.23 25.07 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.78 151.67 21.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 6.58 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.504 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 7.5 mt -110.39 17.97 20.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.716 ' HB2' HD11 ' A' ' 95' ' ' ILE . 11.4 ptm -93.29 -43.65 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 6.2 m-85 -100.28 -37.59 8.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 104' ' ' PHE . 4.2 tt0 -34.28 -48.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -44.43 -61.52 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.42 -40.5 91.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.506 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 37.9 tt0 -51.08 -19.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.96 -59.85 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -60.59 -37.45 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.9 mm -63.37 -37.13 78.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.427 ' CE1' HD23 ' A' ' 19' ' ' LEU . 20.7 t80 -55.69 -62.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -64.68 -36.0 82.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 tp -41.67 -64.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 120' ' ' TYR . 36.4 mtm -69.85 -24.23 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -56.64 -30.71 63.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -115.82 -14.14 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -93.71 -56.76 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 120' ' ' TYR . 31.8 m -95.41 -67.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 123' ' ' PHE . 68.4 t80 -36.24 -67.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.9 t -39.51 -35.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.437 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 13.8 ttm180 -84.4 -33.42 23.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 120' ' ' TYR . 52.5 t80 -53.18 -52.12 59.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.9 mt -49.94 -35.9 25.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -76.06 -37.99 57.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.6 m -54.65 168.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -80.3 -44.66 19.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 127' ' ' ASP . 9.4 tp -33.6 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 127' ' ' ASP . 50.0 t80 -91.03 -67.9 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 131' ' ' LYS . 91.5 mt -36.14 -45.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -34.16 -59.7 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.403 ' HA ' HG22 ' A' ' 135' ' ' THR . 3.2 t-160 -66.8 -46.93 73.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.416 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 25.4 tttt -54.26 -19.17 4.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -89.9 -63.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 132' ' ' HIS . 6.9 t -51.72 -27.68 12.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -52.22 -55.52 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -101.62 155.96 17.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -104.93 130.71 53.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.8 176.99 4.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -114.14 121.93 45.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.66 5.63 12.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.53 153.08 78.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 134.4 27.83 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.8 p -70.37 -39.14 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -167.39 -105.83 0.19 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.5 m -167.16 166.32 15.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.8 m -135.17 109.15 8.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -91.99 -44.94 8.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -101.41 111.81 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.53 -177.13 26.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.7 m -141.58 172.96 11.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -58.07 110.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.11 -39.06 2.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.3 m -71.85 -37.89 70.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 tp -142.89 151.59 41.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -76.42 157.88 31.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.9 p -97.77 -40.96 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -52.14 -50.93 60.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.6 -41.6 42.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -64.01 -51.93 61.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CZ2' ' HA2' ' A' ' 28' ' ' GLY . 20.1 m0 -57.83 -55.82 29.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.87 -38.09 61.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.9 38.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.9 p -157.92 140.4 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 25.4 tp -48.49 -46.15 37.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -44.2 -52.85 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.498 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 92.3 m-20 -49.04 -36.06 17.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.572 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.2 tp -70.67 -36.99 73.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.494 HD13 ' CH2' ' A' ' 48' ' ' TRP . 32.5 mt -73.56 -45.41 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 3.0 pp20? -63.6 -45.44 90.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.5 t0 -66.75 130.61 94.01 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.0 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.72 -35.04 73.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.557 ' HA2' ' CZ2' ' A' ' 15' ' ' TRP . . . -69.51 -54.33 13.28 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 25' ' ' ASP . 88.2 t -44.41 -42.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -46.25 -60.13 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.447 ' C ' HD21 ' A' ' 128' ' ' LEU . 2.9 mpt_? -55.4 -60.0 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CD1' HD21 ' A' ' 22' ' ' LEU . 3.2 t80 -36.48 -62.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -45.97 -50.45 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -54.78 -54.32 43.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -55.01 -43.64 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' LYS . 81.2 mt -61.77 -57.46 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -35.23 -37.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -43.68 -52.64 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -102.31 17.98 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 59.71 44.92 13.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 10.6 p -107.39 -12.48 15.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.745 ' O ' HG22 ' A' ' 45' ' ' VAL . 27.1 tt0 -39.58 -60.07 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.1 tp10 -34.77 -37.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 41' ' ' SER . 10.3 m-20 -43.47 -49.18 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 42' ' ' GLU . 27.6 m -75.29 -30.7 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 43' ' ' GLU . 31.1 mt -58.69 -36.99 75.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.562 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 23.5 t80 -83.32 -38.91 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.494 ' CH2' HD13 ' A' ' 23' ' ' LEU . 63.7 t90 -63.23 -52.98 60.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.39 -46.01 69.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.95 -48.1 61.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.8 m -49.85 -50.98 43.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 6.0 tm-20 -59.4 -62.61 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -48.96 -34.68 13.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -62.67 -60.2 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 13.1 ptpt -53.77 -33.29 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 53.2 mtpt -56.45 -42.74 78.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.6 mtm -56.84 133.02 54.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -96.26 -43.37 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -53.39 127.73 25.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -67.05 -54.15 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 m -48.73 -61.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -45.37 -38.62 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 54.5 mtp -66.89 -44.33 81.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.496 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 73.3 mt-30 -43.54 -49.39 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.415 ' HA ' ' CE ' ' A' ' 68' ' ' LYS . 15.6 mt-10 -64.97 -66.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -45.22 -26.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -56.9 -69.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.8 -30.79 71.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 10.3 mt-10 -50.35 -57.53 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.0 mt -71.65 -41.36 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.667 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -57.96 -31.15 66.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mmt -84.64 -6.29 59.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 52.8 m -91.62 -68.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -97.99 -66.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.759 HD11 ' CE1' ' A' ' 104' ' ' PHE . 34.0 mt -34.73 -45.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 t -52.41 123.18 10.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -57.93 -26.56 62.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -80.15 13.99 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 73' ' ' THR . . . -87.34 141.91 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.4 t -93.61 -38.96 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.405 ' HB2' ' OE2' ' A' ' 43' ' ' GLU . 14.7 m -82.27 17.34 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -51.96 118.84 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -57.11 156.62 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -71.51 115.04 10.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 88' ' ' GLN . 9.6 m -151.35 143.61 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -46.23 -48.94 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.45 79.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.527 ' CG ' HG21 ' A' ' 85' ' ' VAL . 11.8 pt20 -81.45 -41.77 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 88' ' ' GLN . 30.9 t -40.24 -24.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 88' ' ' GLN . 18.8 ttt180 -38.57 -32.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -57.0 159.39 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.619 ' O ' HG22 ' A' ' 95' ' ' ILE . 82.6 m-20 -113.82 -179.05 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -86.24 -20.48 28.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -57.19 -37.79 72.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.878 HD11 ' HB2' ' A' ' 103' ' ' MET . 0.7 OUTLIER -51.89 -40.73 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLU . 65.0 mt -51.21 -43.82 61.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' LEU . 27.8 mt-10 -34.55 -65.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.01 102.89 45.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 140.71 43.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.322 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.84 148.49 17.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 110.878 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 13.99 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.37 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 8.7 mt -110.74 -12.68 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.878 ' HB2' HD11 ' A' ' 95' ' ' ILE . 7.3 ptm -62.83 -51.34 67.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.759 ' CE1' HD11 ' A' ' 75' ' ' LEU . 2.4 m-85 -102.89 17.74 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -71.48 -47.09 57.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -72.8 -54.96 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 104' ' ' PHE . 6.1 mt -48.06 -35.31 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.485 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 52.5 tt0 -68.36 -35.58 77.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -63.03 -62.77 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -46.0 -47.36 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.0 -38.95 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -49.32 -57.5 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 114' ' ' LEU . 18.5 m-80 -65.25 -46.97 78.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 12.6 tp -35.35 -58.89 0.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 120' ' ' TYR . 51.6 mtm -73.48 -29.19 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 113' ' ' ASN . 28.7 tttm -52.58 -31.54 36.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -117.44 -24.72 7.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 26.1 t0 -79.83 -57.42 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 120' ' ' TYR . 19.5 m -96.39 -67.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 115' ' ' MET . 37.8 t80 -32.92 -50.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.4 t -54.97 -57.01 13.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 123' ' ' PHE . 43.4 mmm-85 -60.52 -54.05 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' A' ' 122' ' ' ARG . 22.0 t80 -32.54 -61.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 47.2 mt -44.41 -56.07 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -43.92 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.1 t -54.9 150.82 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -58.53 -44.26 89.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.447 HD21 ' C ' ' A' ' 31' ' ' ARG . 63.2 tp -34.97 -33.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 127' ' ' ASP . 60.9 t80 -96.34 -59.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 131' ' ' LYS . 56.1 mt -45.89 -53.1 10.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 130' ' ' LEU . 13.1 mmmt -34.32 -61.22 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -62.48 -40.57 97.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -53.8 -59.3 4.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 134' ' ' ARG . 2.4 mmp_? -42.77 -46.49 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.6 m -41.9 -41.59 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -70.66 170.57 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -95.14 176.46 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -82.02 124.0 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -111.04 157.74 19.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.16 125.93 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 141' ' ' ASP . 15.5 t0 -85.97 16.12 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 34.4 mt -96.54 140.16 22.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -33.56 16.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 96.2 p -83.91 167.48 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 162.54 -119.61 0.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 109.04 2.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.1 t -92.18 132.13 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.2 p -63.13 -49.38 74.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -49.18 -58.8 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.4 p -133.96 141.3 47.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.84 -125.29 2.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -85.79 166.7 15.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.883 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -87.16 164.33 16.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.93 91.28 0.41 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.9 p -65.08 -38.44 90.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.442 ' C ' HD12 ' A' ' 9' ' ' LEU . 4.6 pp -70.47 176.66 3.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -113.6 151.53 31.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.51 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 4.5 m -85.63 -57.81 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.9 p -38.83 -25.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' SER . . . -63.65 -66.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.591 ' HG3' ' CD1' ' A' ' 15' ' ' TRP . 4.6 pttm -48.98 -34.64 13.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.591 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 10.2 m0 -76.43 -40.97 49.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.12 -36.91 81.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.69 -60.38 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.9 m -151.99 171.07 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.648 HD23 ' CE1' ' A' ' 112' ' ' PHE . 24.1 tp -73.54 -38.51 65.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.26 -45.61 45.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 28.6 m-20 -64.76 -21.99 66.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.699 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.5 tp -85.57 -47.08 10.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.497 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 44.8 mt -67.25 -40.35 86.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 12.5 pt-20 -60.62 -45.78 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 7.1 m-20 -81.83 143.43 50.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.722 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.258 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -56.06 -36.32 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.21 -52.31 32.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 23' ' ' LEU . 72.6 t -48.56 -51.11 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -53.86 -55.3 27.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HA ' ' CD ' ' A' ' 34' ' ' GLU . 27.5 mmm-85 -60.74 -12.25 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.699 ' CD1' HD21 ' A' ' 22' ' ' LEU . 37.5 t80 -87.87 -35.27 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' GLU . 54.0 mtp180 -72.43 -43.91 63.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.541 ' CG ' HD21 ' A' ' 128' ' ' LEU . 1.9 pt-20 -37.39 -51.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -69.07 -54.23 16.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.1 mt -43.13 -49.27 6.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -49.62 -39.63 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -48.43 -51.9 24.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -95.53 13.71 25.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 55.64 42.51 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -109.9 10.13 24.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -55.42 -31.96 62.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.651 ' HA ' HD12 ' A' ' 46' ' ' LEU . 7.5 pt-20 -58.37 -17.57 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -61.24 -65.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.54 -35.97 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 43' ' ' GLU . 30.0 mt -48.86 -40.26 28.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 6.5 t80 -79.25 -37.39 38.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.497 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 87.4 t90 -61.12 -52.81 63.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 31.1 mt -49.8 -56.49 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -36.1 -55.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 58.1 m -46.07 -67.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 8.9 mm-40 -44.88 -35.66 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.17 -35.08 61.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 35.1 t80 -65.44 -49.76 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' CD ' ' HA ' ' A' ' 52' ' ' GLU . 1.4 ptmm? -63.02 -31.66 72.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -60.45 -37.9 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.9 mtm -66.82 134.01 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -97.4 -47.03 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -53.27 137.96 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 63' ' ' MET . 47.1 tttt -74.51 -60.17 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.6 m -36.49 -57.46 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -52.59 -41.76 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.472 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 4.5 mtt -66.57 -47.8 71.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -39.42 -41.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -75.47 -67.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HG3' ' CD1' ' A' ' 70' ' ' ILE . 32.7 tptt -40.55 -34.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.47 -67.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.633 ' HB3' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -67.28 -31.89 72.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -53.1 -53.92 43.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 48.1 mt -69.94 -37.24 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.783 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.5 t80 -64.03 -19.16 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.425 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 6.8 mmt -101.23 9.08 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.695 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 44.3 m -97.98 -61.49 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.695 ' CE1' ' CG2' ' A' ' 73' ' ' THR . 3.2 m-85 -117.82 -37.97 3.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 71' ' ' TYR . 45.8 mt -57.89 -42.19 84.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.425 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 12.8 t -58.09 158.31 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.4 m -77.78 -44.83 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -72.37 2.42 6.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -54.69 121.34 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m -54.57 -26.14 30.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -136.46 102.16 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.46 ' OE1' ' CD ' ' A' ' 88' ' ' GLN . 9.1 tt0 -107.88 109.36 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.8 m -56.57 177.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.491 ' O ' HG13 ' A' ' 85' ' ' VAL . 4.9 t30 -113.48 138.4 50.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 84' ' ' ASN . 13.2 m -157.94 139.71 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -44.69 -33.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.11 71.43 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.46 ' CD ' ' OE1' ' A' ' 82' ' ' GLN . 12.3 tm0? -91.1 159.73 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.6 m 60.68 46.09 9.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -111.66 -29.51 7.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.868 HD22 HD12 ' A' ' 95' ' ' ILE . 52.5 mt -75.83 155.14 35.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.623 ' O ' HG22 ' A' ' 95' ' ' ILE . 56.9 m-20 -138.16 154.54 49.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -43.3 -23.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 92' ' ' ASN . 2.9 mppt? -63.6 -43.19 97.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.868 HD12 HD22 ' A' ' 91' ' ' LEU . 11.1 tt -45.71 -23.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 68' ' ' LYS . 47.9 mt -72.42 -37.28 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 96' ' ' LEU . 17.3 mt-10 -34.25 -49.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -121.41 102.02 43.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 123.81 10.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.369 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -151.39 150.06 25.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.547 0.689 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 9.9 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 2.1 mt -107.63 -13.52 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 8.2 ptm -60.92 -38.9 87.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 103' ' ' MET . 6.0 m-85 -102.87 -33.31 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 104' ' ' PHE . 32.5 tp60 -32.11 -53.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 -59.74 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.511 ' CD1' ' CD2' ' A' ' 75' ' ' LEU . 14.2 mt -57.3 -42.77 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.414 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 53.1 tt0 -46.94 -64.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -38.52 -55.61 1.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -48.82 -60.5 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.409 HG22 ' HE1' ' A' ' 115' ' ' MET . 28.8 mm -53.8 -42.72 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.648 ' CE1' HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -44.46 -61.56 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -66.07 -44.36 84.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 10.4 tp -38.38 -59.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' TYR . 30.9 mtm -68.37 -34.78 76.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -55.09 -29.47 57.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -114.68 -16.17 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 35.1 t0 -93.37 -61.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' TYR . 44.6 t -89.84 -67.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' SER . 50.7 t80 -33.69 -55.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.5 t -52.33 -62.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 123' ' ' PHE . 62.9 mtp85 -56.89 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' A' ' 122' ' ' ARG . 6.5 t80 -33.59 -59.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.0 mt -44.78 -63.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.766 ' O ' HD12 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -52.68 -43.11 65.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -55.21 143.1 28.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.7 p-10 -48.14 -39.49 20.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.541 HD21 ' CG ' ' A' ' 34' ' ' GLU . 15.6 tp -34.14 -46.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -93.77 -51.89 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 125' ' ' LYS . 12.6 mt -52.6 -59.79 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -47.07 -60.51 2.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -51.34 -43.9 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -57.73 -46.03 85.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 136' ' ' GLU . 21.8 ttp180 -70.51 -60.39 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.603 HG23 ' CD1' ' A' ' 142' ' ' LEU . 88.6 m -34.45 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.5 tp10 -72.67 -56.93 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -70.44 -6.01 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -78.76 167.11 21.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.94 153.12 41.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.06 177.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.44 38.58 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.603 ' CD1' HG23 ' A' ' 135' ' ' THR . 72.6 mt -63.7 155.62 75.72 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.587 0.708 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -34.26 14.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 30.8 t -86.7 120.42 27.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -41.52 126.1 3.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 86.1 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.312 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.3 m 56.5 45.62 22.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -7.49 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -68.86 168.8 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -135.72 168.32 19.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.03 -36.89 52.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 6' ' ' SER . 48.5 p -40.11 -55.67 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' SER . 68.2 p -37.95 -39.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.66 -115.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -91.57 124.83 36.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -58.8 -42.65 89.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -73.18 123.52 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.4 m -90.54 -57.05 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.463 HG21 ' HA ' ' A' ' 133' ' ' LYS . 67.7 p -38.73 -52.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.48 -43.8 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -58.99 -51.63 69.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -59.39 -46.2 89.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.15 94.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.74 -57.91 7.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LEU . 4.7 t -155.72 134.57 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.61 HD23 ' CE1' ' A' ' 112' ' ' PHE . 46.6 tp -37.44 -53.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -36.0 -62.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 6.6 m-20 -39.15 -39.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 32' ' ' PHE . 5.3 tp -69.7 -38.02 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.515 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 50.2 mt -72.95 -45.9 55.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 2.9 pp20? -63.74 -40.08 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.2 t70 -77.28 141.2 66.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.0 Cg_endo -69.73 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.236 . . . . 0.0 112.391 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -51.36 -42.9 61.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.8 -59.67 8.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 25' ' ' ASP . 92.6 t -42.67 -45.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.09 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -53.43 -54.73 32.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -63.68 -47.81 79.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.455 ' HB2' HD21 ' A' ' 22' ' ' LEU . 2.9 t80 -50.42 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HB3' ' CD ' ' A' ' 42' ' ' GLU . 33.7 mtp180 -38.01 -57.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -44.75 -51.88 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -51.94 -53.31 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 41' ' ' SER . 83.6 mt -57.21 -48.04 79.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -42.99 -38.23 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -39.92 15.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' HG3' ' HB2' ' A' ' 41' ' ' SER . 4.9 pt-20 -111.18 9.33 21.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 62.88 44.16 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.476 ' OG ' ' ND2' ' A' ' 44' ' ' ASN . 6.7 t -117.96 17.94 14.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.838 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' CD ' ' HB3' ' A' ' 33' ' ' ARG . 38.3 tt0 -71.71 3.42 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' HA ' HD12 ' A' ' 46' ' ' LEU . 5.6 tp10 -82.05 -45.62 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.476 ' ND2' ' OG ' ' A' ' 41' ' ' SER . 13.4 p30 -46.18 -40.81 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.459 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 14.5 m -76.31 -30.99 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 43' ' ' GLU . 42.0 mt -65.8 -40.0 91.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -79.81 -40.43 28.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.515 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 79.3 t90 -56.64 -55.23 36.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.427 HD23 ' HZ3' ' A' ' 48' ' ' TRP . 7.2 mt -54.75 -53.43 55.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' ASP . . . -38.84 -53.22 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 69.5 m -39.49 -61.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 71.3 mm-40 -50.87 -33.04 22.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 56' ' ' LYS . 2.2 m-20 -73.87 -58.69 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.4 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 82.4 t80 -40.45 -33.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 14.6 ptpt -84.05 -31.04 25.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.8 ptpp? -66.06 -34.02 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.498 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 75.4 mtm -54.33 -42.25 69.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 52.92 37.29 24.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' MET . 1.2 m-20 -130.56 137.52 49.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -74.22 -54.93 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.8 m -55.16 -55.37 31.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -57.6 -46.62 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 78.7 mtp -59.73 -44.38 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -44.76 -40.93 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' LYS . 24.4 mt-10 -78.81 -69.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' GLU . 14.8 tptt -37.48 -42.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.62 -67.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HA ' HD22 ' A' ' 96' ' ' LEU . 7.5 ptmt -56.2 -32.21 64.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.56 -61.76 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -55.95 -43.42 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 5.2 t80 -63.17 -58.59 6.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.2 mtp -59.29 -12.7 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 58.5 m -84.16 -70.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -98.01 -68.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 104' ' ' PHE . 31.2 mt -33.9 -34.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' PHE . 2.6 t -58.31 137.92 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.3 t -71.16 -34.37 70.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -76.11 8.7 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 73' ' ' THR . . . -88.42 128.98 35.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.3 m -75.41 -37.25 60.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 m -84.69 18.03 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -52.03 117.49 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.0 m -57.76 143.12 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -73.41 109.51 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.446 HG21 ' CD ' ' A' ' 88' ' ' GLN . 21.5 m -144.36 126.9 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.68 133.25 55.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.04 -90.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.446 ' CD ' HG21 ' A' ' 85' ' ' VAL . 12.4 tt0 55.29 47.88 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.965 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.6 p -113.97 14.81 18.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -88.5 15.54 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 75' ' ' LEU . 2.1 pt? -137.64 157.85 45.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.742 ' O ' HG22 ' A' ' 95' ' ' ILE . 7.2 m120 -167.67 167.96 12.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 45.7 mt-10 -34.12 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 92' ' ' ASN . 17.1 mmtp -57.28 -48.01 79.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 92' ' ' ASN . 16.0 tt -42.86 -23.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 97' ' ' GLU . 40.8 mt -75.32 -38.78 60.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 96' ' ' LEU . 79.3 mt-10 -33.36 -64.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -112.16 102.0 53.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.609 0.719 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 139.16 39.51 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.734 2.289 . . . . 0.0 112.31 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -157.27 149.62 17.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.824 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 7.8 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.5 mt -112.49 17.92 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.584 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 9.2 ptm -90.92 -43.16 10.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.584 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.5 m-85 -110.89 17.02 20.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.0 -59.16 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -59.15 -53.78 54.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 104' ' ' PHE . 24.4 mt -44.75 -37.91 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.502 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 52.8 tt0 -61.23 -35.22 76.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -65.85 -68.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -43.4 -49.86 6.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 107' ' ' LEU . 37.5 mm -59.62 -42.76 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.61 ' CE1' HD23 ' A' ' 19' ' ' LEU . 1.7 t80 -49.85 -53.58 24.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.67 -45.46 92.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.2 tp -42.41 -57.8 2.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 17.5 mtm -73.14 -33.72 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HE3' ' CE1' ' A' ' 112' ' ' PHE . 28.6 ttmt -55.87 -25.04 40.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -117.95 -26.13 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 25.4 t70 -77.01 -64.32 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 120' ' ' TYR . 11.3 p -94.11 -66.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.526 ' HB2' HD13 ' A' ' 19' ' ' LEU . 42.9 t80 -32.02 -67.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 120' ' ' TYR . 19.7 t -35.57 -61.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 123' ' ' PHE . 24.6 mmm180 -59.49 -54.62 44.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 129' ' ' PHE . 52.2 t80 -32.11 -63.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.9 mt -38.86 -48.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -72.02 -42.06 66.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.7 t -54.91 148.97 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 128' ' ' LEU . 2.1 p-10 -58.74 -43.23 90.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.3 tp -32.14 -44.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.568 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . 31.0 t80 -83.5 -62.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 131' ' ' LYS . 91.1 mt -45.67 -60.56 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' LEU . 32.2 tptt -33.82 -54.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -48.04 -52.98 17.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.463 ' HA ' HG21 ' A' ' 12' ' ' THR . 35.6 mtpt -42.52 -57.33 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -57.51 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.3 m -41.41 -47.55 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -66.44 164.04 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.35 131.89 53.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -154.55 169.43 23.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 0.7 OUTLIER -76.92 155.41 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -150.81 124.75 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -95.71 13.7 25.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 72.0 mt -75.19 152.61 86.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.82 26.23 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.368 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.9 t -68.07 134.37 50.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -105.8 101.7 1.86 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.94 3.08 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 85.0 p -82.95 159.99 22.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.2 t -84.28 117.57 23.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -103.96 159.37 15.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.6 m -143.08 143.29 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.77 -169.5 30.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -67.65 -58.88 3.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -90.6 173.36 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.99 167.55 25.42 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.02 177.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.876 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 9' ' ' LEU . 2.7 pp -105.65 -33.83 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HE3' HG21 ' A' ' 135' ' ' THR . 2.7 mmmp? -55.32 164.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 14' ' ' LYS . 4.3 m -71.84 -45.95 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.466 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 17.9 p -37.81 -46.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.4 -43.02 61.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' SER . 1.1 mptp? -61.71 -45.25 94.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.498 ' HB3' HD13 ' A' ' 22' ' ' LEU . 8.5 m0 -66.4 -42.77 87.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.35 97.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.17 -54.11 28.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.8 m -161.55 156.18 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.9 -44.3 97.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -43.73 -41.82 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 72.3 m-20 -67.44 -34.71 77.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 15' ' ' TRP . 5.5 tp -74.55 -38.44 62.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 mt -75.04 -43.14 55.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -63.72 -43.0 97.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 29' ' ' VAL . 54.2 m-20 -74.76 148.71 85.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.709 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -50.66 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.27 -46.65 76.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.49 -53.74 39.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 25' ' ' ASP . 92.4 t -55.47 -44.39 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 111.125 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -54.08 -56.85 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -61.54 -53.73 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.418 ' HB2' HD21 ' A' ' 22' ' ' LEU . 4.7 t80 -46.89 -52.57 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.426 HH12 HD21 ' A' ' 46' ' ' LEU . 36.4 mtp85 -52.34 -53.15 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -47.15 -50.81 19.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.54 -52.92 62.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 37' ' ' LYS . 61.9 mt -54.34 -52.75 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 36' ' ' LEU . 8.7 ttpt -34.75 -45.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -42.71 -59.64 1.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -91.21 12.87 18.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 59.98 47.37 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.423 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.6 p -112.65 17.85 18.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 45' ' ' VAL . 21.2 tt0 -64.2 -53.86 42.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.691 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.1 pm0 -40.53 -32.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.461 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 15.0 m-20 -47.73 -59.03 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 42' ' ' GLU . 18.3 m -67.91 -37.68 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 43' ' ' GLU . 64.8 mt -51.17 -46.07 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' CD1' ' CD2' ' A' ' 74' ' ' PHE . 34.8 t80 -70.53 -43.97 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.542 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 80.6 t90 -57.75 -59.37 5.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 ' CZ3' ' A' ' 48' ' ' TRP . 11.1 mt -48.08 -55.18 10.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . -42.84 -56.14 3.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 50' ' ' ALA . 95.0 m -36.9 -43.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.36 -49.5 22.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -51.32 -41.87 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.19 -61.32 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -56.8 -31.95 65.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 17.6 mmtt -60.2 -41.91 93.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.4 mtm -58.69 136.87 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -97.13 -44.93 6.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.84 116.72 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -60.65 -50.11 74.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.7 m -44.26 -54.81 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -57.83 -41.63 82.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.5 mtp -59.29 -47.3 85.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 28.0 mt-30 -44.36 -50.37 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -66.6 -68.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -41.94 -30.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -51.72 -68.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.771 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -65.55 -34.81 79.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -47.42 -60.93 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.97 -47.54 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.627 ' HA ' HD12 ' A' ' 75' ' ' LEU . 3.0 t80 -51.3 -52.4 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.9 mtp -66.49 -3.82 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.526 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 4.1 m -84.48 -65.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 47' ' ' PHE . 1.9 m-85 -114.16 -26.04 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 91' ' ' LEU . 17.6 mt -81.47 16.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 77' ' ' SER . 1.7 t -106.63 172.05 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.401 ' N ' ' OG ' ' A' ' 76' ' ' SER . 43.6 t -84.5 -45.58 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -83.31 17.16 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -79.08 113.71 17.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.6 t -77.9 -31.62 51.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.7 p -80.43 13.52 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -51.94 116.2 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.54 170.36 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.465 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 23.3 t30 -88.69 129.83 35.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 84' ' ' ASN . 29.9 m -159.49 177.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.01 -54.68 23.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.45 72.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HB3' HG21 ' A' ' 85' ' ' VAL . 3.2 pp0? -54.96 -33.9 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' LEU . 1.6 t -40.25 -30.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -39.66 -28.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 75' ' ' LEU . 31.4 mt -73.59 176.09 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.765 ' O ' HG22 ' A' ' 95' ' ' ILE . 11.7 t-20 -162.15 153.45 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -47.29 -27.62 1.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -59.84 -43.88 94.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.765 HG22 ' O ' ' A' ' 92' ' ' ASN . 10.4 tt -44.81 -24.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.771 HD13 ' CB ' ' A' ' 68' ' ' LYS . 27.0 mt -72.01 -38.24 69.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 96' ' ' LEU . 5.4 mm-40 -36.79 -57.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 9.5 mm-40 -111.01 101.92 51.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.5 Cg_endo -69.73 129.13 17.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -155.2 149.7 19.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.445 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.4 Cg_endo -69.78 0.7 5.28 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.4 mt -102.66 17.95 22.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.573 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 10.2 ptm -92.1 -47.44 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.5 m-85 -104.76 12.22 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 106' ' ' LYS . 20.2 tm0? -68.98 -68.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.431 ' N ' ' OE1' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -48.55 -50.14 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.796 HD11 HD11 ' A' ' 91' ' ' LEU . 9.8 mt -53.65 -33.79 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.542 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 7.0 tt0 -72.64 -28.63 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.19 -50.18 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.402 ' NE2' HD23 ' A' ' 107' ' ' LEU . 19.1 pt20 -66.92 -45.05 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.434 HD11 ' CG1' ' A' ' 85' ' ' VAL . 41.9 mm -61.52 -31.35 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -56.84 -62.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 8.5 p30 -62.81 -41.41 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.485 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 16.8 tp -40.46 -43.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.451 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 29.6 mtm -89.12 -56.77 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -44.55 -26.51 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 3.2 m-85 -75.33 -67.92 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 119' ' ' SER . 5.9 t0 -91.75 -67.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 118' ' ' ASP . 23.0 m -33.33 -68.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.65 ' CZ ' HD11 ' A' ' 124' ' ' LEU . 65.4 t80 -49.64 -49.15 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -55.8 -35.28 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.803 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -77.16 -40.65 44.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -50.67 -58.44 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.65 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 19.7 mt -55.98 -66.45 0.43 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -43.56 -43.97 5.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.2 m -53.62 166.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.9 p30 -70.29 -44.28 68.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.1 tp -34.18 -42.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -83.45 -61.17 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LYS . 76.0 mt -48.39 -59.55 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.9 OUTLIER -33.89 -56.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.69 ' O ' HG22 ' A' ' 135' ' ' THR . 5.7 t60 -68.1 -50.6 53.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -43.01 -44.34 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 135' ' ' THR . 14.4 mmt85 -38.67 -42.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 132' ' ' HIS . 8.9 t -36.16 -44.81 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.488 ' N ' HG23 ' A' ' 135' ' ' THR . 22.5 tt0 -69.62 150.88 46.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -145.61 154.49 42.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.75 170.18 10.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -140.56 164.9 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -120.75 171.14 8.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.7 t70 59.36 36.5 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 142' ' ' LEU . 1.0 OUTLIER -62.25 152.6 78.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -19.61 36.17 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.665 ' HB3' HD13 ' A' ' 142' ' ' LEU . 23.7 t -61.51 131.44 50.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 130.36 -164.2 22.95 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.427 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 89.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 148' ' ' SER . 77.1 p -162.87 161.75 26.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 147' ' ' SER . 12.6 t -36.92 -53.29 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 m -93.32 162.17 14.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 p 52.15 39.94 27.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.39 116.25 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.2 p -153.42 168.46 26.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 p -87.48 -48.1 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.76 114.41 3.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 t -72.51 -40.09 67.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.692 HD22 ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -119.07 174.01 6.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.692 ' N ' HD22 ' A' ' 9' ' ' LEU . 18.8 mttm -145.47 106.65 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m -79.83 -56.43 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 p -40.18 -41.35 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.93 63.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.067 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -55.87 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.416 ' HB3' HD13 ' A' ' 22' ' ' LEU . 10.2 m0 -56.15 -43.51 78.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.83 94.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.87 67.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 t -159.05 151.79 21.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 22' ' ' LEU . 50.1 tp -60.74 -49.44 77.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -40.13 -53.7 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -51.04 -35.96 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD12 ' HA3' ' A' ' 28' ' ' GLY . 6.2 tp -72.64 -49.01 34.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.56 -45.02 93.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 12.7 pt-20 -62.46 -44.98 95.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.48 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.0 t70 -70.81 140.18 86.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.77 -40.34 5.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -60.77 -44.19 97.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' HA3' HD12 ' A' ' 22' ' ' LEU . . . -60.07 -57.91 16.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -45.44 -46.48 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -54.62 -47.16 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.6 mmt-85 -68.6 -52.77 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -50.35 -57.28 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -42.85 -61.01 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -44.14 -57.51 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -48.78 -56.98 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' LYS . 37.7 mt -49.05 -51.98 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -36.04 -48.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -45.34 -58.77 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -87.63 15.36 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 52.1 47.98 23.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -115.67 18.05 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 45' ' ' VAL . 32.2 tt0 -65.64 -54.76 23.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -39.12 -35.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -47.34 -66.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 42' ' ' GLU . 16.0 m -60.93 -40.97 87.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 43' ' ' GLU . 20.0 mt -47.84 -36.76 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -81.82 -44.55 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -55.17 -52.86 61.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.6 mt -49.87 -48.51 51.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.51 -43.04 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.1 m -55.48 -60.15 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -53.62 48.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.59 -37.57 73.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.24 -58.32 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 10.5 ptpt -56.44 -33.93 66.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 17.4 mmtt -57.58 -41.17 80.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 mtm -61.23 134.04 56.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -96.07 -46.83 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -53.4 135.25 39.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -70.6 -58.85 3.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.3 m -38.26 -58.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -52.43 -40.16 61.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.416 ' HB3' ' HE2' ' A' ' 63' ' ' MET . 51.9 mtp -67.84 -40.87 83.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -49.03 -47.31 44.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -67.3 -59.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG3' HD11 ' A' ' 70' ' ' ILE . 14.0 tptp -46.65 -41.58 14.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.65 -69.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.543 ' HA ' HD22 ' A' ' 96' ' ' LEU . 6.9 ptmt -66.75 -38.94 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -46.32 -55.65 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.401 HD11 ' HG3' ' A' ' 66' ' ' LYS . 43.5 mt -65.14 -46.28 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 1.1 t80 -52.04 -47.48 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.5 mmm -72.41 -0.96 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.3 m -86.64 -60.43 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -117.97 -30.25 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 91' ' ' LEU . 33.2 mt -79.1 17.61 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -103.45 163.96 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.5 p -75.33 -41.84 55.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -91.35 17.91 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.83 105.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 t -51.15 -31.01 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -126.64 102.12 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -107.78 129.23 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.86 176.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 0.5 OUTLIER -101.59 123.19 45.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.849 HG11 HD22 ' A' ' 107' ' ' LEU . 17.6 m -151.85 150.09 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -115.51 114.09 24.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.63 43.22 6.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.566 ' HG3' HD21 ' A' ' 107' ' ' LEU . 3.1 tt0 -110.11 -37.45 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.4 p -40.12 -30.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.73 -33.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 75' ' ' LEU . 1.4 pt? -64.9 165.89 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.653 ' O ' HG22 ' A' ' 95' ' ' ILE . 17.7 m120 -163.39 160.53 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.4 mt-10 -35.79 -31.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -57.94 -45.65 86.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 92' ' ' ASN . 11.8 tt -42.85 -23.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.543 HD22 ' HA ' ' A' ' 68' ' ' LYS . 26.4 mt -75.17 -38.15 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 96' ' ' LEU . 39.2 mt-10 -32.09 -63.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 27.5 mt-10 -111.1 102.04 51.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.74 130.58 19.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.478 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.58 147.65 18.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.903 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 53.8 Cg_endo -69.76 18.78 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.2 mt -114.82 -18.73 11.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.586 ' HB2' HD11 ' A' ' 95' ' ' ILE . 9.4 ptm -58.3 -46.25 86.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 105' ' ' GLN . 13.2 m-85 -94.16 -36.47 12.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.5 tp-100 -32.02 -50.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -49.01 -50.83 34.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.849 HD22 HG11 ' A' ' 85' ' ' VAL . 30.4 mt -67.42 -40.23 85.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -47.98 -30.38 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -71.46 -64.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.425 ' HA ' ' ND2' ' A' ' 113' ' ' ASN . 7.4 pt20 -53.91 -41.77 68.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.5 mm -65.1 -43.15 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -53.33 -54.8 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 1.9 p30 -66.52 -43.01 86.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 tp -40.93 -47.16 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 39.5 mtm -85.47 -54.92 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -46.17 -24.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 3.6 m-85 -77.99 -63.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 119' ' ' SER . 0.3 OUTLIER -96.49 -68.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -32.17 -69.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -43.42 -64.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.0 m -45.0 -41.91 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.417 ' HD3' ' CE ' ' A' ' 125' ' ' LYS . 53.4 mmt-85 -68.32 -40.55 81.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -48.94 -53.89 17.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 63.9 mt -57.99 -46.64 84.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.417 ' CE ' ' HD3' ' A' ' 122' ' ' ARG . 49.1 mtmt -58.71 -43.12 90.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.3 p -54.45 163.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' LEU . 8.8 p-10 -76.62 -42.76 41.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.1 mt -35.2 -44.06 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -80.97 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 131' ' ' LYS . 37.6 mt -38.73 -51.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 130' ' ' LEU . 22.8 tttm -33.78 -58.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -59.78 -48.53 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -53.93 -64.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -45.74 -53.04 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 89.5 m -42.85 -49.06 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -69.61 174.79 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.02 -1.05 21.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -70.15 120.16 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -113.63 163.5 14.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -76.71 111.6 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -92.27 18.06 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 142' ' ' LEU . 4.3 pp -94.82 142.99 25.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.554 0.693 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 177.11 5.92 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 25.5 p -133.98 148.36 51.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -90.02 -179.66 44.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.538 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -176.83 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.4 t -102.88 117.01 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.7 p -53.31 161.05 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -95.65 176.65 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -133.89 135.31 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.05 -170.54 17.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 60.64 40.89 15.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.814 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -94.84 137.26 34.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.82 78.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -96.13 127.29 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.937 0.398 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.832 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -122.87 157.34 32.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' C ' HD22 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -72.99 107.81 5.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.4 m -78.79 -55.91 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.554 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 44.4 p -44.45 -49.13 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.01 -46.45 16.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -58.16 -50.39 73.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 7.3 m0 -59.94 -48.91 79.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.41 87.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.99 -58.71 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -153.3 132.9 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 112' ' ' PHE . 42.6 tp -38.56 -51.74 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 24.4 mt-10 -38.97 -62.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -39.03 -43.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.5 tp -66.89 -44.45 80.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.444 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 64.1 mt -64.36 -36.71 85.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 1.6 mm-40 -74.99 -55.02 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . 7.2 m-20 -53.41 141.16 43.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.594 0.711 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -38.85 7.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.6 2.2 . . . . 0.0 112.377 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.18 -41.53 73.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA3' HD12 ' A' ' 22' ' ' LEU . . . -61.05 -43.82 98.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ASP . 92.4 t -64.65 -43.74 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -60.09 -45.25 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.6 mmt-85 -68.56 -46.44 69.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.65 ' HD2' HG11 ' A' ' 45' ' ' VAL . 3.5 t80 -48.89 -50.91 32.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HA ' HD12 ' A' ' 36' ' ' LEU . 15.6 mtp180 -55.24 -46.56 76.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.01 -52.41 25.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -62.45 -42.75 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 33' ' ' ARG . 76.9 mt -58.77 -59.9 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' LEU . 9.1 tmtt? -37.0 -45.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -43.78 -56.37 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.82 15.8 19.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 55.47 40.71 31.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -106.2 17.08 24.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ASN . 45.1 tt0 -57.6 -58.14 9.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.813 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.7 pt-20 -34.42 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLU . 34.8 m-20 -43.85 -66.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.65 HG11 ' HD2' ' A' ' 32' ' ' PHE . 33.8 m -66.65 -36.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 43' ' ' GLU . 82.7 mt -47.87 -39.93 20.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 16.8 t80 -74.96 -43.74 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.539 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 83.9 t90 -60.78 -57.76 11.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.73 -45.96 58.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.0 -46.76 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.0 m -46.84 -45.02 19.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 16.6 mm-40 -67.16 -34.3 77.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.4 m-20 -71.68 -58.8 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.546 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 26.8 t80 -40.15 -34.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 15.2 ptpt -85.63 -30.67 23.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -64.74 -35.83 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.493 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 38.0 mtm -63.06 143.41 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -97.24 -43.48 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -53.94 142.79 23.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -87.93 -39.42 14.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' GLN . 22.0 m -57.84 -65.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -40.42 -39.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.546 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 4.1 mtp -59.93 -43.22 95.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' THR . 55.1 mt-30 -44.28 -42.41 6.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -75.17 -69.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HG3' HD11 ' A' ' 70' ' ' ILE . 18.8 tptt -38.55 -42.88 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.34 -69.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HA ' HD22 ' A' ' 96' ' ' LEU . 7.6 ptmt -62.16 -34.38 76.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.41 -38.33 77.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.467 HD11 ' HG3' ' A' ' 66' ' ' LYS . 64.8 mt -81.32 -16.35 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -95.07 -25.7 16.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.423 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 13.0 mtp -91.54 9.34 32.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.584 HG23 ' CG ' ' A' ' 74' ' ' PHE . 7.4 t -117.86 -39.57 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.584 ' CG ' HG23 ' A' ' 73' ' ' THR . 1.9 m-85 -117.96 -37.44 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.763 HD13 ' CD1' ' A' ' 91' ' ' LEU . 19.4 mt -88.51 17.81 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 1.5 t -115.0 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.1 p -64.84 155.04 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt 56.24 36.45 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB3' ' HB2' ' A' ' 82' ' ' GLN . . . -90.33 175.11 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.1 m -101.94 -37.69 8.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.492 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.8 m -99.34 17.79 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.443 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 48.6 tt0 -52.22 106.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -60.71 177.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -102.53 108.46 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.35 134.56 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.41 -66.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.17 -88.97 2.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.715 ' HG3' HD22 ' A' ' 107' ' ' LEU . 34.4 tt0 53.36 43.18 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.3 m -117.88 -22.92 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -42.2 -31.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.763 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.4 pt? -78.08 165.99 23.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.725 ' O ' HG22 ' A' ' 95' ' ' ILE . 2.3 t-20 -164.5 165.34 21.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.5 mt-10 -33.16 -35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' ASN . 37.0 mtmt -54.63 -49.94 69.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 92' ' ' ASN . 14.9 tt -43.64 -23.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 68' ' ' LYS . 39.2 mt -76.51 -37.8 56.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 96' ' ' LEU . 26.6 mt-10 -34.32 -63.33 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.0 OUTLIER -106.44 102.11 39.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.78 130.52 19.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.4 147.18 15.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.862 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 16.27 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 13.3 mt -108.33 -17.43 14.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.551 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 8.6 ptm -65.32 -44.32 88.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.3 m-85 -100.15 17.84 20.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.448 ' C ' ' OE1' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -73.65 -54.26 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt -67.1 -46.38 74.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.715 HD22 ' HG3' ' A' ' 88' ' ' GLN . 30.9 mt -47.58 -38.33 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.539 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 18.9 tt0 -60.47 -34.63 74.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.33 -64.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -49.17 -49.38 42.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.9 mm -63.73 -42.45 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.526 ' CE1' HD23 ' A' ' 19' ' ' LEU . 59.0 t80 -46.12 -49.72 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 114' ' ' LEU . 2.4 p-10 -74.28 -45.24 48.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 113' ' ' ASN . 12.1 tp -33.79 -66.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 30.9 mtm -65.46 -37.54 87.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -44.2 -28.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -117.74 -29.7 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -75.62 -61.06 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 120' ' ' TYR . 41.8 t -93.98 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.455 ' C ' ' O ' ' A' ' 119' ' ' SER . 64.2 t80 -33.11 -57.59 0.39 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.5 t -50.6 -53.95 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 124' ' ' LEU . 22.5 mmt85 -61.31 -60.51 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 122' ' ' ARG . 36.7 t80 -34.28 -34.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ARG . 90.5 mt -70.15 -51.64 29.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 122' ' ' ARG . 45.1 pttt -65.69 -37.42 86.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 125' ' ' LYS . 18.6 p -54.8 153.17 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -68.03 -41.72 81.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.0 tt -34.12 -46.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -81.63 -54.6 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 45.4 mt -49.14 -62.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 45.5 mmtt -34.14 -57.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.835 ' O ' HG22 ' A' ' 135' ' ' THR . 5.0 t-80 -57.51 -60.87 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -38.21 -42.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 135' ' ' THR . 47.2 ttt-85 -39.99 -45.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.835 HG22 ' O ' ' A' ' 132' ' ' HIS . 7.3 t -37.59 -41.28 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 134' ' ' ARG . 4.8 tp10 -71.64 156.99 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -80.58 13.79 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -73.5 115.55 13.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.05 159.67 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -87.3 106.17 17.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -82.89 -2.7 55.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 142' ' ' LEU . 4.4 pp -100.39 152.59 37.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 102.1 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.356 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 59.6 p -104.09 157.85 16.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 177.47 160.98 25.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 6.41 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.637 2.224 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.3 p -51.36 -48.03 62.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 6.0 m 55.13 43.38 29.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -95.86 160.7 14.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -141.55 158.9 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.35 -57.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t 54.6 40.21 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 t -90.07 120.27 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.63 117.97 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 28.5 m -134.43 116.2 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.699 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 47.69 32.0 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -107.21 125.61 51.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 m -47.35 -48.68 25.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.9 p -50.31 -47.48 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.38 -41.44 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -64.48 -45.52 86.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 22.1 m0 -64.9 -40.75 95.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.0 84.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.79 -45.92 78.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -168.17 162.83 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' LEU . 43.7 tp -65.14 -44.66 87.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -41.76 -43.26 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -62.9 -36.67 84.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.558 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 4.9 tp -73.69 -48.23 33.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD11 HD21 ' A' ' 19' ' ' LEU . 84.1 mt -63.24 -46.82 85.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 16.9 pt-20 -58.88 -43.19 90.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 2.0 m-20 -73.62 142.76 81.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -42.83 3.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.6 -41.57 97.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.62 -56.47 24.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -46.76 -48.14 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -55.03 -43.26 73.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -69.99 -53.7 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -43.5 -55.25 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' GLU . 47.7 mtp180 -48.4 -62.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.69 ' HB2' HD21 ' A' ' 128' ' ' LEU . 21.0 mt-10 -35.17 -49.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.22 -60.16 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.415 HD21 ' OG ' ' A' ' 119' ' ' SER . 54.6 mt -45.6 -50.28 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -41.17 -37.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -42.57 -60.84 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 9.2 pt-20 -92.66 17.98 9.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 58.71 46.13 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.423 ' OG ' ' CG ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -111.07 17.94 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.756 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 45' ' ' VAL . 61.8 tt0 -62.76 -35.02 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.71 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.2 pm0 -55.41 -38.63 69.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -42.95 -58.3 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.4 m -65.63 -40.23 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 43' ' ' GLU . 79.3 mt -47.16 -37.83 10.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -81.09 -41.43 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -58.15 -32.36 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mt -82.19 -39.29 23.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.07 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.0 p -55.16 -40.93 71.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.43 -57.52 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -50.55 -35.64 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 81.6 t80 -62.0 -57.06 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -26.4 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -65.83 -48.13 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.41 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 5.0 ptp -64.78 135.6 55.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -93.15 -36.57 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -52.1 121.47 6.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -68.2 -55.96 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' LYS . 43.2 m -36.62 -54.46 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -62.78 -38.85 92.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.443 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 40.2 mtp -61.09 -47.71 85.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -49.69 -40.49 40.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -73.32 -67.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -45.92 -35.57 4.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.17 -69.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HA ' HD22 ' A' ' 96' ' ' LEU . 23.0 pttt -62.78 -38.11 89.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -47.2 -60.77 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.408 ' O ' ' HB ' ' A' ' 73' ' ' THR . 20.0 mt -57.09 -41.58 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 75' ' ' LEU . 1.9 t80 -59.08 -47.2 86.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.464 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 94.9 mmm -66.04 -5.01 8.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 70' ' ' ILE . 27.4 m -87.12 -68.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 76' ' ' SER . 3.5 m-85 -106.44 -34.5 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 104' ' ' PHE . 18.9 mt -73.97 17.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.464 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -125.16 165.35 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.5 p -81.45 155.51 25.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 mptt 62.3 36.78 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.77 108.89 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.1 t -63.27 -43.95 96.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.6 m -80.5 13.6 2.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -52.85 125.33 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.04 168.62 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -98.74 105.82 18.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.639 ' CG1' HD11 ' A' ' 111' ' ' ILE . 34.3 m -140.21 170.38 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -127.52 110.55 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.94 45.57 2.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.488 ' HG2' ' CG2' ' A' ' 85' ' ' VAL . 5.0 pp0? -112.23 -30.82 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.944 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.7 p -52.48 -30.74 31.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -50.5 -27.58 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.57 HD11 HD11 ' A' ' 107' ' ' LEU . 87.0 mt -61.21 156.74 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.705 ' O ' HG22 ' A' ' 95' ' ' ILE . 11.6 m120 -151.9 154.72 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -43.05 -30.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -52.2 -44.01 64.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 92' ' ' ASN . 11.6 tt -47.18 -24.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 68' ' ' LYS . 33.6 mt -74.29 -34.41 63.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.1 mt-10 -34.66 -61.97 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -116.3 102.06 53.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.2 22.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.328 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.639 ' CD2' ' HB2' ' A' ' 102' ' ' LEU . 1.5 p-80 -153.19 152.69 28.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.533 0.683 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 6.22 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.639 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . 7.1 mt -111.64 17.97 19.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.554 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 9.4 ptm -91.35 -44.34 9.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.564 ' CE1' HD11 ' A' ' 75' ' ' LEU . 4.1 m-85 -111.12 17.95 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.89 -52.11 22.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -58.44 -55.74 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.624 HD23 ' NE2' ' A' ' 110' ' ' GLN . 11.7 mt -47.67 -40.07 18.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -57.52 -30.76 65.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.91 -65.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.624 ' NE2' HD23 ' A' ' 107' ' ' LEU . 25.5 pt20 -55.65 -43.54 76.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.639 HD11 ' CG1' ' A' ' 85' ' ' VAL . 33.5 mm -63.56 -38.21 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.7 -61.68 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -62.92 -40.74 98.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.3 tp -41.09 -55.47 2.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.421 ' HE2' ' O ' ' A' ' 111' ' ' ILE . 39.7 mtm -77.84 -48.26 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.43 ' HG3' ' CB ' ' A' ' 19' ' ' LEU . 28.0 ttpt -44.71 -21.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' MET . 59.7 m-85 -115.65 -35.62 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.78 -70.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 122' ' ' ARG . 48.9 m -66.62 -67.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 119' ' ' SER . 88.4 t80 -32.44 -63.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.7 p -42.52 -41.76 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 119' ' ' SER . 32.6 mtp85 -74.72 -50.87 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.52 ' HE1' HD23 ' A' ' 128' ' ' LEU . 35.5 t80 -38.38 -59.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 129' ' ' PHE . 80.1 mt -52.53 -40.34 62.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.64 -45.76 85.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.5 p -60.33 160.97 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.1 p30 -70.63 -38.64 73.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 34' ' ' GLU . 11.8 tp -32.76 -41.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 133' ' ' LYS . 35.4 t80 -88.82 -62.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 75.2 mt -43.73 -56.29 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.541 ' CE ' ' NH2' ' A' ' 134' ' ' ARG . 0.1 OUTLIER -38.99 -52.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -52.77 -53.22 51.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 20.6 mtpt -46.73 -44.2 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.541 ' NH2' ' CE ' ' A' ' 131' ' ' LYS . 19.1 mtm105 -72.76 -45.06 60.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 64.3 m -46.87 -45.23 20.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -62.53 170.5 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -82.35 176.2 9.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -106.67 175.67 5.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -101.48 167.07 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -114.59 18.04 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.23 15.95 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 144' ' ' SER . 5.0 mp -58.11 153.73 33.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 11.81 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 142' ' ' LEU . 79.5 p -148.55 168.5 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -153.4 163.45 30.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -31.58 20.12 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.683 2.256 . . . . 0.0 112.315 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.9 m -134.69 118.13 16.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.2 m -40.84 -55.52 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.485 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -75.64 141.07 42.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -131.39 142.15 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.72 -50.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -121.89 161.72 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -83.02 134.19 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.64 128.8 1.94 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' LEU . 17.5 t -93.94 127.29 39.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.831 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -36.06 -53.58 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -73.66 154.51 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -83.43 -45.73 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -54.36 -54.27 42.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.71 -46.82 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -58.58 -53.62 56.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.41 ' CD1' ' OD2' ' A' ' 25' ' ' ASP . 7.7 m0 -57.84 -42.86 85.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.56 90.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.44 -61.97 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.4 p -154.81 140.49 18.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.523 HD12 HD23 ' A' ' 22' ' ' LEU . 63.3 tp -44.03 -44.76 7.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -40.15 -59.13 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 18.0 m-20 -47.46 -55.51 8.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.619 HD21 ' CG ' ' A' ' 32' ' ' PHE . 2.2 tp -52.71 -27.2 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD13 ' CH2' ' A' ' 48' ' ' TRP . 80.3 mt -83.78 -44.08 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 2.6 pt-20 -61.36 -34.78 75.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD2' ' CD1' ' A' ' 15' ' ' TRP . 1.8 p30 -87.25 127.72 58.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.14 28.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' CD ' ' HB2' ' A' ' 25' ' ' ASP . 22.7 pm0 -78.22 -25.73 47.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -80.69 -43.99 8.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -52.85 -49.56 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -44.21 -53.43 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -61.64 -44.93 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.619 ' CG ' HD21 ' A' ' 22' ' ' LEU . 8.2 t80 -54.18 -55.08 31.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -50.61 -58.43 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -38.37 -47.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.23 -54.85 42.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.428 HD21 ' HB2' ' A' ' 119' ' ' SER . 52.0 mt -52.11 -49.56 63.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -39.79 -39.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -40.49 -49.79 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 6.3 pt-20 -107.45 10.82 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 62.1 47.3 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.43 ' OG ' ' CG ' ' A' ' 39' ' ' GLU . 1.1 p -112.09 13.6 20.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ASN . 37.1 tt0 -59.04 -44.54 91.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.655 ' HA ' HD12 ' A' ' 46' ' ' LEU . 25.3 pm0 -38.65 -27.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLU . 97.6 m-20 -56.97 -57.99 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 42' ' ' GLU . 15.9 m -69.84 -28.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 43' ' ' GLU . 60.8 mt -60.09 -41.22 92.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.524 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 7.5 t80 -75.67 -39.17 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CH2' HD13 ' A' ' 23' ' ' LEU . 90.9 t90 -57.06 -58.43 8.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD23 ' CZ3' ' A' ' 48' ' ' TRP . 9.8 mt -50.02 -47.98 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.25 -56.45 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 61.8 m -41.25 -61.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 24.2 mm-40 -53.94 -62.23 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -42.04 -40.07 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 21.7 t80 -56.0 -58.46 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -58.92 -18.15 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' MET . 48.9 mtpt -83.57 -34.22 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.491 ' HE2' ' HG2' ' A' ' 66' ' ' LYS . 6.0 mmt -36.94 -45.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 57.96 41.83 23.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' MET . 11.2 m-20 -153.36 150.8 29.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -85.02 -62.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.5 m -48.06 -60.69 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -49.61 -44.47 47.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.487 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 6.3 mtt -61.07 -54.67 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' MET . 53.3 mt-30 -35.37 -35.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' MET . 20.4 mt-10 -80.52 -68.67 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.491 ' HG2' ' HE2' ' A' ' 57' ' ' MET . 30.2 tptt -40.61 -42.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.71 -68.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.502 ' HA ' HD22 ' A' ' 96' ' ' LEU . 9.5 ptmt -62.4 -37.24 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -49.51 -62.09 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.74 -36.72 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.75 ' HA ' HD12 ' A' ' 75' ' ' LEU . 4.1 t80 -66.59 -24.16 66.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.4 mmm -97.01 8.04 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.476 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 95.4 m -97.91 -59.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 47' ' ' PHE . 1.1 m-85 -117.99 -38.56 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 71' ' ' TYR . 33.5 mt -61.27 -39.29 89.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -52.06 163.93 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 m -78.72 -44.23 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -79.36 16.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.98 110.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.4 m -54.72 -29.94 54.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -131.3 102.01 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -101.13 131.45 47.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.8 m -72.68 167.73 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -99.76 117.32 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.851 HG21 ' HB3' ' A' ' 88' ' ' GLN . 19.6 m -140.88 176.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -89.41 -49.1 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.19 80.55 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.851 ' HB3' HG21 ' A' ' 85' ' ' VAL . 9.3 pt20 -96.42 -39.37 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 88' ' ' GLN . 3.1 t -38.25 -26.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 88' ' ' GLN . 6.9 tpp180 -36.76 -32.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 89' ' ' SER . 3.5 pp -68.96 176.23 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.845 ' O ' HG22 ' A' ' 95' ' ' ILE . 6.8 t30 -168.08 158.59 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -40.48 -45.85 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 97' ' ' GLU . 2.9 ttpm? -48.25 -40.11 23.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.845 HG22 ' O ' ' A' ' 92' ' ' ASN . 9.0 tt -45.04 -24.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.502 HD22 ' HA ' ' A' ' 68' ' ' LYS . 59.5 mt -74.76 -36.05 62.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 96' ' ' LEU . 23.0 mt-10 -32.19 -68.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 2.4 tp10 -105.66 101.98 35.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.4 Cg_endo -69.72 127.82 15.17 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -150.54 147.52 21.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 53.5 Cg_endo -69.77 18.74 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.262 . . . . 0.0 112.389 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 100' ' ' HIS . 7.3 mt -117.62 -17.25 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.562 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 6.8 ptm -53.87 -38.71 65.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 75' ' ' LEU . 12.0 m-85 -106.13 -31.96 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 104' ' ' PHE . 22.2 tm0? -32.15 -42.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -67.44 -55.04 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 104' ' ' PHE . 9.7 mt -56.34 -46.25 80.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -50.99 -34.25 28.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -53.47 -62.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 22.1 pt20 -59.02 -42.51 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.479 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 42.7 mm -58.1 -39.14 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -55.21 -63.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 110' ' ' GLN . 7.3 p30 -60.39 -41.48 93.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 12.9 tp -39.43 -59.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 120' ' ' TYR . 43.8 mtm -70.34 -32.99 70.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -53.73 -29.71 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -116.18 -20.49 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 21.8 t70 -85.6 -65.24 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 120' ' ' TYR . 12.6 t -90.3 -65.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 119' ' ' SER . 28.8 t80 -33.08 -66.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 m -40.65 -48.03 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' A' ' 123' ' ' PHE . 81.6 mmt-85 -68.38 -62.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 122' ' ' ARG . 52.0 t80 -32.25 -41.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 122' ' ' ARG . 91.6 mt -62.21 -55.13 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 122' ' ' ARG . 41.1 pttt -62.58 -33.92 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 125' ' ' LYS . 15.0 m -55.99 171.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 128' ' ' LEU . 6.5 p-10 -87.96 -45.79 9.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 128' ' ' LEU . 3.0 tt -33.77 -39.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' LEU . 12.2 t80 -83.13 -66.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' PHE . 60.4 mt -36.65 -44.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 135' ' ' THR . 15.6 mtpt -41.37 -54.72 2.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.424 ' HA ' HG22 ' A' ' 135' ' ' THR . 8.4 t-80 -49.64 -47.09 50.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -57.01 -46.62 82.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -70.77 -66.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 131' ' ' LYS . 14.6 t -39.94 -44.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.493 ' N ' HG23 ' A' ' 135' ' ' THR . 27.6 tt0 -64.09 148.19 50.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -97.67 145.64 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.35 133.85 52.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -109.0 151.73 25.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -125.5 133.95 52.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.5 13.77 18.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.8 152.19 91.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 122.79 9.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 74.9 m -109.23 122.52 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -66.58 -118.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.48 31.91 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 t 64.24 41.81 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.9 t -123.45 144.24 49.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -83.14 -48.52 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -156.68 150.47 24.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.28 -105.82 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -88.81 162.33 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.841 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 75.3 m -60.51 -55.69 30.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.85 44.17 0.92 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -96.16 -36.66 10.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.825 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -54.12 134.59 44.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' N ' HD13 ' A' ' 9' ' ' LEU . 29.5 mmmt -113.21 178.14 4.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 m -68.07 -54.47 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.43 HG21 ' HA ' ' A' ' 133' ' ' LYS . 34.3 p -40.34 -38.32 0.79 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.53 76.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -56.56 -41.91 77.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -64.34 -46.2 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.91 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.13 -62.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 m -147.12 152.37 38.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 tp -62.17 -42.77 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -47.58 -47.3 28.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -56.61 -31.84 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 32' ' ' PHE . 5.0 tp -75.15 -52.93 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.67 -43.65 93.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -62.82 -38.28 90.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.63 142.2 61.34 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -56.44 -37.08 69.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.58 -60.34 6.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -40.83 -43.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -61.27 -42.8 99.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -70.71 -44.65 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CZ ' ' OG ' ' A' ' 119' ' ' SER . 2.1 t80 -57.75 -51.78 68.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.474 HH21 HD13 ' A' ' 49' ' ' LEU . 85.0 mtt180 -48.8 -54.19 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -45.6 -60.54 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -44.45 -49.47 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 33' ' ' ARG . 14.3 mt -59.51 -56.03 27.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' LEU . 3.6 tmtt? -35.41 -43.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -45.22 -58.22 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -90.21 16.38 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 56.24 40.79 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.427 ' HB3' ' ND2' ' A' ' 44' ' ' ASN . 23.8 m -110.45 17.86 20.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 44' ' ' ASN . 48.4 tt0 -59.21 -50.95 72.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.88 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.6 pm0 -43.27 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 41' ' ' SER . 20.0 m-20 -52.6 -65.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.85 -35.67 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 43' ' ' GLU . 80.8 mt -49.95 -34.12 19.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 13.9 t80 -79.91 -45.47 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -59.38 -51.32 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.474 HD13 HH21 ' A' ' 33' ' ' ARG . 22.7 mt -51.2 -54.1 28.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.61 -53.96 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 m -45.25 -56.25 5.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.15 -30.02 58.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 13.9 m-20 -77.72 -41.72 36.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -61.06 -21.76 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.1 ptpt -97.85 -32.99 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 57' ' ' MET . 9.2 ptpt -59.11 -35.4 73.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.47 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 29.4 mtm -64.05 159.1 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -115.65 -36.88 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.28 125.04 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -71.22 -42.66 68.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.1 m -57.83 -57.43 12.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -48.34 -30.44 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtp -73.22 -45.51 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -42.08 -33.15 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.91 -65.64 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -41.91 -32.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.52 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.506 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -67.27 -29.28 68.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 15.7 mt-10 -51.93 -62.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.1 mt -62.05 -37.74 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.853 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.5 t80 -60.21 -34.28 73.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.407 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 98.1 mmm -87.42 11.73 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.423 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 20.6 m -98.0 -68.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.443 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 1.9 m-85 -105.62 -45.12 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.068 HD13 HD11 ' A' ' 91' ' ' LEU . 22.0 mt -56.18 -35.67 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -57.62 168.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -87.19 -40.39 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -82.14 17.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 73' ' ' THR . . . -56.85 107.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.2 p -52.36 -28.98 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.409 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -135.08 101.94 5.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -99.7 143.64 29.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.6 m -81.21 165.19 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -83.98 103.4 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.816 HG21 ' HB3' ' A' ' 88' ' ' GLN . 2.8 m -144.59 175.29 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -92.53 -37.42 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.78 70.46 0.17 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.816 ' HB3' HG21 ' A' ' 85' ' ' VAL . 4.5 pm0 -79.41 -7.99 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.9 m -82.94 -0.16 47.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -42.15 -38.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.068 HD11 HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -77.95 163.31 26.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.992 ' O ' HG22 ' A' ' 95' ' ' ILE . 5.3 t30 -133.66 166.63 22.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -44.87 -36.9 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -50.88 -37.94 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.992 HG22 ' O ' ' A' ' 92' ' ' ASN . 5.1 tt -52.49 -26.95 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.506 HD13 ' CB ' ' A' ' 68' ' ' LYS . 80.9 mt -68.49 -26.31 65.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -42.49 -56.55 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -111.24 103.5 55.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.678 0.752 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 124.44 11.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.38 145.69 17.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 14.62 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.724 2.282 . . . . 0.0 112.322 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.439 ' H ' ' C ' ' A' ' 100' ' ' HIS . 7.6 mt -107.8 -20.48 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.527 ' HB2' HD11 ' A' ' 95' ' ' ILE . 5.6 ptm -54.65 -44.87 73.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 105' ' ' GLN . 8.5 m-85 -93.33 -35.7 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 104' ' ' PHE . 14.9 tt0 -33.66 -51.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -50.09 -60.62 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' ' 88' ' ' GLN . 9.9 mt -58.24 -43.22 87.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -46.67 -26.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -69.67 -59.45 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.461 ' OE1' HG11 ' A' ' 85' ' ' VAL . 3.1 pt20 -57.33 -46.59 83.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.26 -44.98 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -54.23 -46.94 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.59 -36.52 76.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -51.78 -46.69 64.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.0 mtm -82.3 -52.0 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -48.56 -28.34 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -78.47 -63.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 119' ' ' SER . 8.3 m-20 -89.28 -67.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.548 ' OG ' ' CZ ' ' A' ' 32' ' ' PHE . 7.8 t -33.64 -51.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -58.22 -62.63 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.4 m -47.05 -58.61 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -57.57 -41.06 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -52.2 -47.7 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.62 -64.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -44.79 -40.69 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.4 m -54.74 167.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -77.51 -43.65 31.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.1 mt -33.35 -34.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 127' ' ' ASP . 48.0 t80 -89.29 -67.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.546 HD23 ' HE2' ' A' ' 133' ' ' LYS . 9.7 mt -37.29 -40.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -61.61 -45.75 92.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 129' ' ' PHE . 1.9 t-160 -65.68 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.546 ' HE2' HD23 ' A' ' 130' ' ' LEU . 11.4 pttp -39.91 -38.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 3.8 tmt_? -76.18 -67.25 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 78.1 m -39.38 -46.26 1.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.97 156.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -154.18 168.94 24.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.55 130.91 41.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -118.52 163.7 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 14.73 20.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -84.38 9.56 12.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.666 HD22 ' C ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -62.94 152.13 84.08 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 96.21 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.291 . . . . 0.0 112.317 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.9 m -71.38 159.55 34.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 147' ' ' SER . . . -171.38 173.67 44.88 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 147' ' ' SER . 54.1 Cg_endo -69.77 11.92 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.272 . . . . 0.0 112.379 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 146' ' ' PRO . 46.0 p -34.18 -36.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 146' ' ' PRO . 32.9 p -71.07 -55.01 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.485 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 p -149.48 155.54 40.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -148.71 130.47 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.17 178.89 18.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -81.74 14.91 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.376 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -131.18 155.82 46.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.62 -81.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.2 m 56.23 41.3 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 tp -84.26 148.8 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -57.61 167.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.487 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 4.6 m -93.77 -45.7 7.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.467 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 3.0 p -44.2 -41.66 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.83 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -57.01 -54.38 47.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.487 ' CZ2' ' HB3' ' A' ' 11' ' ' SER . 10.0 m0 -54.61 -47.77 72.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.62 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.7 -46.4 58.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -165.12 152.96 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.984 HD23 ' CE1' ' A' ' 112' ' ' PHE . 30.7 tp -58.01 -44.88 87.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -44.13 -42.92 6.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.468 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 53.0 m-20 -64.71 -33.42 75.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 32' ' ' PHE . 4.4 tp -73.11 -41.72 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.629 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 81.8 mt -72.11 -46.34 57.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.468 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -60.98 -45.95 92.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 2.3 t70 -71.39 140.48 84.9 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.631 0.729 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.5 Cg_endo -69.67 -50.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -57.4 -41.72 80.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.49 -54.27 39.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.5 t -50.4 -44.48 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -58.59 -55.61 32.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -57.02 -47.91 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.801 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 24.3 t80 -55.48 -54.72 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -50.63 -45.13 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.52 -44.96 46.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -72.48 -50.35 26.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.801 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 79.9 mt -40.97 -53.44 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 36.8 tttt -35.41 -38.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -41.16 -66.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.01 17.61 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 58.41 46.37 15.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 p -107.1 16.97 23.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.28 -28.5 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.866 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -74.77 -38.55 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' OD1' ' OE2' ' A' ' 43' ' ' GLU . 2.7 m120 -39.28 -53.59 1.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 46' ' ' LEU . 27.4 m -72.93 -43.1 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' ' 43' ' ' GLU . 35.7 mt -41.13 -42.99 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -74.62 -34.91 62.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.629 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 56.7 t90 -66.59 -42.16 87.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ALA . 18.9 mt -61.66 -56.48 19.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -36.75 -46.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 91.1 m -48.49 -64.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 8.6 mm-40 -45.43 -30.89 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -78.1 -61.73 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -39.68 -32.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -89.29 -29.1 19.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 53' ' ' ASP . 8.2 ptmt -61.49 -40.38 94.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.4 ptp -77.43 146.85 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.27 -36.11 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -52.12 118.73 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' THR . 8.9 ttpp -66.21 -57.33 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' LYS . 18.5 m -36.82 -56.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -52.08 -46.73 65.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' GLN . 53.7 mtp -55.46 -53.18 59.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' MET . 90.6 mt-30 -35.15 -38.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -80.16 -66.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -39.82 -41.17 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.94 -68.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.559 ' HA ' HD22 ' A' ' 96' ' ' LEU . 7.1 ptmt -58.13 -35.28 71.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 4.6 mm-40 -53.84 -66.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.6 mt -52.73 -37.97 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.524 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 1.7 t80 -61.65 -52.01 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.405 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 93.1 mmm -69.72 1.95 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.3 m -95.78 -59.86 1.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -112.18 -31.5 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.838 HD13 HD22 ' A' ' 91' ' ' LEU . 22.5 mt -79.02 17.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 26.0 t -121.13 147.01 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -73.38 149.31 42.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? 61.19 37.41 17.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -82.65 121.83 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ALA . 15.2 t -36.32 -39.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m -138.84 114.08 9.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -113.78 146.91 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -87.85 139.95 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.475 ' O ' HD22 ' A' ' 114' ' ' LEU . 8.8 m-20 -71.2 120.25 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.431 HG21 ' CB ' ' A' ' 88' ' ' GLN . 6.6 m -149.31 152.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -66.98 -43.69 82.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -127.64 -92.84 0.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.7 ' HG3' HD22 ' A' ' 107' ' ' LEU . 11.6 tt0 57.57 35.05 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.327 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 91' ' ' LEU . 80.4 p -117.36 -37.69 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -38.18 -31.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.838 HD22 HD13 ' A' ' 75' ' ' LEU . 2.5 pp -71.5 165.27 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.766 ' O ' HG22 ' A' ' 95' ' ' ILE . 15.8 t-20 -168.03 169.17 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' ASN . 13.0 mt-10 -32.74 -37.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' ASN . 1.5 mmmp? -54.42 -48.36 71.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 92' ' ' ASN . 13.8 tt -43.87 -22.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD22 ' HA ' ' A' ' 68' ' ' LYS . 36.6 mt -78.15 -36.62 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 22.1 mt-10 -32.59 -65.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 63.0 mt-10 -108.84 101.99 46.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.632 0.729 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.78 127.99 15.37 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.52 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.5 OUTLIER -149.56 146.5 20.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.618 0.723 . . . . 0.0 110.803 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 18.14 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.725 2.283 . . . . 0.0 112.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 100' ' ' HIS . 6.0 mt -114.58 -21.15 10.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.52 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 9.2 ptm -52.85 -42.63 65.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.496 ' HE1' HD11 ' A' ' 75' ' ' LEU . 16.3 m-85 -99.27 -32.23 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 104' ' ' PHE . 1.1 tm0? -31.97 -44.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -66.81 -55.51 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.7 HD22 ' HG3' ' A' ' 88' ' ' GLN . 27.4 mt -53.28 -34.74 58.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.508 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 8.2 tt0 -57.6 -28.68 63.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -67.83 -64.7 0.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -49.0 -43.69 40.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.33 -48.82 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.984 ' CE1' HD23 ' A' ' 19' ' ' LEU . 41.2 t80 -48.23 -58.34 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' LEU . 14.5 m-20 -64.19 -47.36 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 84' ' ' ASN . 15.8 tp -36.85 -64.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 120' ' ' TYR . 35.2 mtm -66.6 -34.57 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -46.09 -31.89 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -116.12 -29.26 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -75.37 -59.53 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 120' ' ' TYR . 15.6 m -96.11 -67.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.495 ' CD1' HD13 ' A' ' 19' ' ' LEU . 87.7 t80 -32.34 -64.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 t -40.24 -52.05 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -65.03 -46.21 82.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -41.54 -66.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.9 mt -44.08 -52.76 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.63 -41.15 76.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.4 t -55.09 147.13 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 128' ' ' LEU . 9.7 m-20 -64.15 -41.57 97.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.1 tt -33.81 -43.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -84.59 -61.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.0 mt -39.75 -60.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -41.91 -58.26 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.757 ' O ' HG22 ' A' ' 135' ' ' THR . 25.9 t60 -57.19 -36.54 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.21 -33.34 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 136' ' ' GLU . 2.5 tmm_? -57.97 -63.26 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 132' ' ' HIS . 9.1 t -35.66 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 134' ' ' ARG . 35.0 tt0 -44.02 -57.48 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -59.45 128.31 36.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -60.83 170.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 0.4 OUTLIER -59.6 151.72 23.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -80.08 13.33 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 t70 58.96 32.09 21.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 23.3 mt -113.02 141.68 26.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 117.64 5.2 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.709 2.273 . . . . 0.0 112.368 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 41.0 m -47.48 -53.18 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -130.98 -119.95 2.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.63 41.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 94.0 p -108.6 175.25 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.5 t -83.93 -60.76 2.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.1 m -36.35 -52.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.829 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -56.93 -60.85 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.47 85.69 1.0 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.43 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -89.51 -58.61 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -57.7 110.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.46 ' N ' ' HE3' ' A' ' 10' ' ' LYS . . . 168.7 -65.34 0.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -94.4 -43.8 8.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.635 ' C ' HD12 ' A' ' 9' ' ' LEU . 3.2 pp -43.07 -29.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.56 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.76 158.15 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 -55.89 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 p -48.68 -47.19 41.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.159 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.15 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -57.48 -42.52 82.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.418 ' HB3' HD13 ' A' ' 22' ' ' LEU . 14.9 m0 -64.79 -51.85 60.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.23 85.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.45 -58.56 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.2 m -155.48 147.77 23.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' GLU . 23.7 tp -51.78 -54.82 24.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' LEU . 35.2 mt-10 -35.0 -66.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' GLU . 46.7 m-20 -36.66 -39.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' LEU . 5.2 tp -68.0 -48.21 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD13 ' CH2' ' A' ' 48' ' ' TRP . 35.6 mt -60.05 -29.86 68.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.5 -51.12 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.08 139.19 87.8 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -31.3 20.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.52 -38.71 59.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.96 -44.84 93.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.83 -45.08 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -55.67 -43.99 76.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -74.2 -42.19 60.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -54.46 -54.63 38.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -46.05 -62.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -39.0 -51.02 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -55.07 -41.22 71.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.0 mt -70.93 -47.05 61.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.17 -44.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -50.2 -61.13 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -78.6 9.33 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 54.34 42.61 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB3' ' ND2' ' A' ' 44' ' ' ASN . 41.3 m -115.45 16.46 16.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 45' ' ' VAL . 32.6 tt0 -53.47 -48.39 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 46' ' ' LEU . 5.9 pt-20 -44.04 -22.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLU . 28.0 m-20 -54.55 -56.02 23.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 42' ' ' GLU . 15.8 m -72.01 -27.39 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 43' ' ' GLU . 76.9 mt -63.7 -39.88 95.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 41.0 t80 -76.67 -40.47 48.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.507 ' CH2' HD13 ' A' ' 23' ' ' LEU . 81.6 t90 -64.07 -44.75 91.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.0 mt -58.5 -56.07 26.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.33 -51.14 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.0 m -45.86 -63.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -50.43 -50.05 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -52.98 -40.83 64.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -57.45 -54.88 41.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.4 ptpt -62.98 -31.55 72.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 25.1 mtmt -59.65 -26.82 65.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.0 mtm -75.18 135.19 41.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -97.0 -40.28 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.89 134.76 55.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -69.23 -59.06 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 m -38.2 -62.57 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -48.31 -37.68 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mtt -72.05 -39.91 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -48.75 -44.43 38.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.55 -61.85 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' ALA . 38.1 tptt -42.18 -49.98 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' LYS . . . -33.25 -68.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.628 ' HA ' HD22 ' A' ' 96' ' ' LEU . 1.5 ptmm? -66.61 -33.33 75.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.57 -58.02 6.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.3 mt -63.98 -34.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.863 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.3 t80 -59.35 -39.5 83.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.427 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 6.0 mmt -87.6 15.77 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.698 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 57.4 m -98.01 -58.65 1.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.698 ' CE1' ' CG2' ' A' ' 73' ' ' THR . 1.2 m-85 -118.0 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.863 HD12 ' HA ' ' A' ' 71' ' ' TYR . 15.9 mt -64.72 -31.59 72.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.427 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -56.94 169.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.832 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 m -84.21 -45.78 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 13.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.14 113.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 t -62.92 -30.29 71.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB3' ' CD ' ' A' ' 43' ' ' GLU . 2.1 m -131.55 102.16 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -100.37 132.69 45.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.2 m -91.98 163.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -82.34 110.29 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG21 ' CD ' ' A' ' 88' ' ' GLN . 4.3 m -118.05 -36.27 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 52.08 47.25 25.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.66 58.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.572 ' CD ' HG21 ' A' ' 85' ' ' VAL . 6.1 pm0 -117.91 -30.7 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' ARG . 6.1 m -40.08 -33.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' SER . 26.5 mtt85 -38.07 -32.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 91' ' ' LEU . 1.4 pp -70.34 173.71 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.919 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.7 t-20 -162.1 160.02 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -45.95 -33.29 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -58.86 -36.93 75.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.919 HG22 ' O ' ' A' ' 92' ' ' ASN . 2.9 tt -47.02 -23.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 68' ' ' LYS . 35.0 mt -76.07 -34.88 59.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LEU . 41.6 mt-10 -34.77 -67.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 31.9 mt-10 -102.71 102.03 24.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.8 121.23 7.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.375 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.4 OUTLIER -147.35 147.44 28.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.561 0.696 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 14.17 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.432 ' H ' ' C ' ' A' ' 100' ' ' HIS . 3.5 mt -113.48 -10.32 13.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.718 ' HB2' HD11 ' A' ' 95' ' ' ILE . 10.3 ptm -60.56 -43.42 97.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 105' ' ' GLN . 17.9 m-85 -100.01 -30.93 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -33.4 -47.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -57.58 -56.93 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.87 -48.13 82.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -43.97 -57.27 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -44.51 -28.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.401 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 8.7 mm-40 -73.01 -49.08 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.7 mm -63.26 -41.8 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -48.82 -56.46 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 114' ' ' LEU . 2.5 p30 -63.28 -49.32 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.461 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 4.0 tp -40.89 -51.0 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 60.9 mtm -80.51 -56.02 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -45.66 -22.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -82.81 -63.67 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 119' ' ' SER . 5.5 m-20 -93.66 -68.3 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 118' ' ' ASP . 1.7 t -32.41 -69.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 123' ' ' PHE . 23.5 t80 -44.19 -68.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.3 t -41.51 -41.86 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.79 -35.03 74.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 120' ' ' TYR . 67.9 t80 -54.96 -56.62 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.36 -52.02 67.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -58.45 -33.69 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.424 ' O ' HD12 ' A' ' 130' ' ' LEU . 9.9 m -62.33 175.31 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 129' ' ' PHE . 1.7 m-20 -90.55 -39.89 12.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 127' ' ' ASP . 3.3 mt -36.09 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 127' ' ' ASP . 9.7 t80 -95.01 -68.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 126' ' ' SER . 20.0 mt -37.29 -40.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' LEU . 23.0 tttm -35.68 -66.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 133' ' ' LYS . 10.2 t60 -56.85 -47.96 79.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 132' ' ' HIS . 14.8 ttpp -35.62 -55.42 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -75.02 -32.87 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 132' ' ' HIS . 0.2 OUTLIER -107.14 104.68 14.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -165.61 165.75 18.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.87 0.76 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -138.07 150.31 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -106.18 153.49 22.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -130.3 102.2 6.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.69 2.92 50.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 42.8 mt -75.21 150.33 85.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 115.24 3.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.8 p -80.52 -11.12 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.404 ' HA2' ' HD2' ' A' ' 146' ' ' PRO . . . 78.25 100.74 0.21 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.404 ' HD2' ' HA2' ' A' ' 145' ' ' GLY . 54.0 Cg_endo -69.74 126.12 12.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 68.7 p -84.68 -57.6 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 95.8 p -124.5 177.3 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m 62.32 42.3 9.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 p -82.05 150.44 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.2 -157.2 53.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 m -63.77 164.89 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 p -149.68 154.51 38.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.94 118.45 1.55 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 m -74.56 -38.24 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 110.883 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mt -44.7 -57.29 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -69.01 127.79 34.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 m -94.89 -46.08 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.493 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 70.9 p -45.95 -50.41 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.36 -56.39 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -48.15 -53.37 16.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 8.8 m0 -58.85 -45.51 89.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.55 92.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.99 -51.72 49.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -161.52 164.38 29.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 116' ' ' LYS . 61.2 tp -61.91 -46.14 90.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.76 -62.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.428 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 19.2 m-20 -42.01 -32.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 6.6 tp -74.64 -56.36 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.2 mt -57.54 -46.77 83.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -59.38 -43.05 92.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 3.8 t70 -80.64 140.93 51.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.576 0.703 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -51.3 -40.48 59.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.59 -49.65 71.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.3 t -56.58 -48.54 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -49.26 64.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -66.77 -46.2 76.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.487 ' CD2' HD11 ' A' ' 36' ' ' LEU . 6.9 t80 -54.24 -55.43 28.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 -42.25 -55.7 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -45.57 -61.14 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.458 ' HB2' HD12 ' A' ' 128' ' ' LEU . 22.6 t80 -50.35 -55.8 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 32' ' ' PHE . 94.9 mt -44.61 -55.98 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' LEU . 14.2 tmtt? -34.57 -44.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -44.28 -59.78 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -90.28 17.87 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 56.71 43.09 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.434 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.0 m -108.28 17.8 21.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 45' ' ' VAL . 35.8 tt0 -64.77 -51.24 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.773 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.1 pm0 -53.15 -38.25 62.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -40.24 -53.11 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 42' ' ' GLU . 11.3 m -70.39 -35.89 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 43' ' ' GLU . 79.7 mt -57.08 -36.89 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.549 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 25.3 t80 -80.58 -38.19 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.592 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 80.8 t90 -61.11 -45.93 92.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.98 -51.38 62.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.76 -41.45 6.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -54.51 -61.61 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -57.68 -35.5 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -73.81 -25.02 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 37.2 t80 -74.94 -29.31 60.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.43 -29.67 20.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 53' ' ' ASP . 10.3 ptmt -60.81 -35.66 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.39 137.89 58.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.1 -44.03 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 129.06 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 63' ' ' MET . 18.9 tptm -66.21 -48.31 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.5 m -46.6 -56.89 5.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -50.03 -36.08 27.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.418 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 6.3 mtp -70.25 -45.13 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -40.62 -49.01 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' LYS . 22.2 mt-10 -70.27 -68.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' GLU . 25.0 tptt -36.16 -35.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . -53.47 -70.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.78 -31.56 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 3.1 tt0 -54.87 -36.78 65.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.2 mt -85.97 -47.59 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.586 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.5 t80 -54.76 -43.36 72.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 11.2 mmt -72.73 2.6 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 m -96.33 -67.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -106.24 -32.78 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.621 HD13 HD12 ' A' ' 91' ' ' LEU . 17.5 mt -76.55 17.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -129.68 135.53 48.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -43.12 -68.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -65.63 102.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB3' ' HG3' ' A' ' 82' ' ' GLN . . . -155.37 124.66 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.8 t -61.04 -37.76 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -130.41 106.82 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.45 ' HG3' ' HB3' ' A' ' 79' ' ' ALA . 4.8 mt-30 -110.68 154.95 23.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.91 170.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.84 113.91 25.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG12 ' CD ' ' A' ' 110' ' ' GLN . 34.5 m -157.06 136.34 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 87' ' ' GLY . 52.2 mt-10 -81.39 121.75 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 86' ' ' GLU . . . 31.15 48.53 0.2 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.485 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 38.9 tp60 -117.15 -32.79 4.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -79.86 12.13 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -81.59 16.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.621 HD12 HD13 ' A' ' 75' ' ' LEU . 63.1 mt -54.56 153.31 5.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.64 ' O ' HG22 ' A' ' 95' ' ' ILE . 68.9 m-20 -99.06 179.25 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -88.92 -20.69 24.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -30.59 69.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 92' ' ' ASN . 2.3 tt -60.76 -42.29 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 71' ' ' TYR . 24.3 mt -50.83 -34.87 29.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 96' ' ' LEU . 73.5 mt-10 -32.64 -64.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -110.98 102.16 51.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 133.06 24.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.357 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -150.96 148.37 22.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 110.839 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 10.21 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.54 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 8.3 mt -112.4 17.28 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.593 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 10.6 ptm -95.72 -41.24 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.593 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.3 m-85 -103.74 -33.27 8.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -38.69 -47.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -60.35 -53.53 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.485 ' CD2' ' HG3' ' A' ' 88' ' ' GLN . 17.3 mt -55.53 -41.05 72.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.592 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 37.5 tt0 -48.87 -30.53 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.02 -62.3 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 17.9 pt20 -58.11 -37.56 74.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.485 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 42.2 mm -63.79 -44.97 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -56.25 -52.4 64.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 3.4 m-20 -67.28 -49.1 65.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 113' ' ' ASN . 15.1 tp -37.18 -48.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.458 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 33.7 mtm -81.74 -61.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.477 ' HB2' HD22 ' A' ' 19' ' ' LEU . 11.9 ttpt -40.56 -27.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 5.0 m-85 -73.68 -68.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 119' ' ' SER . 36.1 t0 -95.16 -68.3 0.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 118' ' ' ASP . 70.7 m -32.11 -63.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.406 ' CB ' ' HA ' ' A' ' 116' ' ' LYS . 70.4 t80 -54.81 -62.55 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.8 t -40.67 -57.23 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 123' ' ' PHE . 54.7 mmt-85 -53.16 -51.46 61.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 122' ' ' ARG . 15.2 t80 -34.09 -60.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 97.1 mt -47.08 -54.72 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -56.72 -41.95 78.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.6 m -55.27 141.56 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.9 m-20 -56.89 -40.31 75.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 35' ' ' PHE . 12.4 mt -35.51 -41.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -89.96 -51.84 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 131' ' ' LYS . 16.7 mt -55.7 -60.33 3.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 130' ' ' LEU . 19.9 ttpp -34.04 -59.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.825 ' O ' HG22 ' A' ' 135' ' ' THR . 8.6 t-80 -51.98 -61.07 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -45.87 -40.02 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 135' ' ' THR . 8.5 ttp85 -42.48 -41.97 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 132' ' ' HIS . 9.2 t -37.57 -37.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -101.88 153.79 19.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -88.82 128.29 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.27 156.05 26.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -82.62 178.02 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -89.93 114.72 26.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.42 -1.58 55.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.24 152.03 88.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.699 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.19 69.26 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.645 2.23 . . . . 0.0 112.359 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 99.9 p -111.83 163.02 14.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 119.38 107.9 2.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.48 18.85 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.9 p -97.41 -43.93 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.6 m -154.98 118.54 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.465 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -75.49 -41.28 55.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t -93.67 137.67 32.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.815 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.86 63.12 2.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 p -73.63 -53.07 11.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.0 p -65.9 158.31 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.22 -95.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.6 p -126.15 113.88 17.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.4 . . . . 0.0 110.824 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 10' ' ' LYS . 2.3 tt -71.17 131.18 43.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -61.61 177.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.782 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 13.0 m -95.3 -67.26 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.578 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 58.8 p -44.37 -34.78 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.08 -50.2 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HG2' ' CD1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -69.07 -26.57 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 29.2 m0 -70.05 -53.25 18.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.32 -43.11 92.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.89 -50.96 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 m -164.23 152.69 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 120' ' ' TYR . 53.0 tp -59.05 -47.36 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -42.97 -55.27 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' OD2' ' A' ' 25' ' ' ASP . 29.8 m-20 -49.0 -51.15 32.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 4.2 tp -61.3 -28.67 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 49.3 mt -75.47 -34.58 60.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.23 -56.23 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 22' ' ' LEU . 1.2 p30 -56.6 127.88 73.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -24.39 29.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 16.9 pm0 -82.73 -25.92 32.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -81.02 -36.56 21.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.8 t -72.54 -43.66 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 111.081 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HE2' ' CZ ' ' A' ' 31' ' ' ARG . 11.2 ptmt -45.23 -40.12 7.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.493 ' CZ ' ' HE2' ' A' ' 30' ' ' LYS . 4.3 mmt-85 -74.98 -60.77 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.797 ' CD2' HD11 ' A' ' 36' ' ' LEU . 1.9 t80 -33.78 -60.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' PHE . 41.9 mtp180 -37.88 -52.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.652 ' HB2' HD21 ' A' ' 128' ' ' LEU . 10.1 mt-10 -44.27 -68.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.55 ' HB2' HD22 ' A' ' 128' ' ' LEU . 78.8 t80 -50.16 -60.36 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.797 HD11 ' CD2' ' A' ' 32' ' ' PHE . 48.8 mt -40.34 -58.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -35.23 -50.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -46.31 -59.85 2.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -82.11 14.96 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 57.95 47.38 15.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.405 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.5 t -114.84 -5.67 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -53.03 -40.8 64.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.745 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -64.03 -24.83 67.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -56.97 -60.28 3.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.26 -28.19 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 43' ' ' GLU . 38.1 mt -57.59 -36.57 71.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 19.0 t80 -80.17 -43.41 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.509 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 84.9 t90 -57.22 -56.12 25.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.0 mt -44.03 -47.26 8.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.23 -46.54 75.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.0 m -45.57 -58.79 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.33 -63.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.77 -38.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -60.49 -60.38 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 14.3 ptpt -59.03 -30.03 67.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 32.7 mtmt -63.83 -38.74 92.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 69.5 mtm -59.45 127.68 33.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -87.02 -45.21 10.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.64 122.22 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -66.35 -49.27 67.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.0 m -44.02 -59.8 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -49.31 -47.17 47.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLN . 25.1 mtp -54.53 -52.34 62.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' MET . 80.9 mt-30 -37.97 -42.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.22 -66.97 0.62 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -40.83 -34.56 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.13 -67.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.519 ' HA ' HD22 ' A' ' 96' ' ' LEU . 2.7 ptmm? -62.97 -32.3 73.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -52.56 -66.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.9 mt -57.06 -37.84 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.571 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.7 t80 -61.69 -41.32 97.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.415 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 9.4 mmt -75.94 6.67 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.47 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 78.3 m -97.97 -68.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -108.75 -28.86 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.597 HD11 ' CE1' ' A' ' 104' ' ' PHE . 12.3 mt -77.79 14.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -124.9 161.95 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.8 m -75.96 156.57 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.5 tttm 54.82 39.08 31.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -74.36 116.07 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ALA . 59.6 m -34.61 -51.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.0 m -125.58 104.64 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -97.37 162.32 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.1 m -114.08 177.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -104.2 104.94 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 34.9 m -139.45 168.93 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -129.57 119.43 23.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.0 43.42 10.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -95.37 -50.12 5.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.492 ' N ' ' CD ' ' A' ' 88' ' ' GLN . 2.2 m -38.0 -27.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 88' ' ' GLN . 8.4 ttt180 -37.0 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 71' ' ' TYR . 3.5 pp -70.41 175.2 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.781 ' O ' HG22 ' A' ' 95' ' ' ILE . 68.2 m-20 -168.41 158.0 9.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' ASN . 27.1 mt-10 -36.6 -38.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -51.15 -47.62 62.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.781 HG22 ' O ' ' A' ' 92' ' ' ASN . 7.3 tt -43.06 -26.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.543 HD21 ' CG ' ' A' ' 71' ' ' TYR . 38.4 mt -74.23 -38.06 63.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 8.5 mt-10 -34.04 -66.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 8.0 mm-40 -105.51 101.99 35.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.7 131.9 22.31 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.36 149.66 18.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.405 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.0 Cg_endo -69.86 10.62 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.413 ' H ' ' C ' ' A' ' 100' ' ' HIS . 6.1 mt -106.06 -14.14 15.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.62 ' HB2' HD11 ' A' ' 95' ' ' ILE . 10.2 ptm -65.17 -42.38 93.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.597 ' CE1' HD11 ' A' ' 75' ' ' LEU . 5.4 m-85 -110.6 17.8 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.48 -44.17 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -73.08 -49.24 29.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.2 mt -53.95 -30.44 46.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.509 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 10.8 tt0 -71.48 -31.43 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.06 -65.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.413 ' HB3' HE21 ' A' ' 110' ' ' GLN . 1.7 pt20 -44.84 -48.22 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.507 ' O ' ' HE2' ' A' ' 115' ' ' MET . 27.5 mm -63.48 -41.31 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.4 ' CD1' HD23 ' A' ' 19' ' ' LEU . 44.5 t80 -56.93 -63.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -62.09 -30.4 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.66 -68.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.507 ' HE2' ' O ' ' A' ' 111' ' ' ILE . 29.3 mtm -61.96 -27.43 68.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -56.19 -31.53 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -117.23 -18.17 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.08 -67.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 120' ' ' TYR . 5.4 p -97.47 -59.08 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 115' ' ' MET . 61.4 t80 -32.77 -53.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -49.7 -50.85 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 125' ' ' LYS . 1.9 mpt_? -68.25 -62.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 122' ' ' ARG . 36.7 t80 -34.79 -34.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 122' ' ' ARG . 25.5 mt -68.05 -48.68 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 122' ' ' ARG . 15.9 pttm -66.59 -34.48 77.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.8 p -57.75 177.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 128' ' ' LEU . 21.2 p-10 -83.16 -42.83 16.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 34' ' ' GLU . 10.0 tp -34.15 -38.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -90.9 -66.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 131' ' ' LYS . 78.6 mt -42.66 -53.99 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -33.97 -61.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.733 ' O ' HG22 ' A' ' 135' ' ' THR . 4.8 t60 -41.72 -63.92 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' HIS . 23.0 mttp -36.3 -33.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 132' ' ' HIS . 6.6 tpp180 -56.16 -64.73 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.733 HG22 ' O ' ' A' ' 132' ' ' HIS . 11.3 t -46.1 -24.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -89.72 169.84 10.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -98.05 142.04 30.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -111.65 137.51 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 142' ' ' LEU . 1.2 pm0 -70.18 172.16 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -90.84 170.81 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 58.76 32.05 21.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.406 ' CD2' ' HG2' ' A' ' 139' ' ' GLU . 18.4 mt -59.63 139.86 89.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 88.9 p -141.23 129.22 21.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -135.32 146.44 18.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.82 3.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.301 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 64.5 p -51.27 -58.53 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.8 t -64.31 136.16 56.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -45.97 -44.44 14.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 110.823 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -144.39 150.48 37.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.38 92.51 0.37 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -57.71 108.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -71.97 172.37 10.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.4 -121.32 1.01 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 t 67.58 42.13 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.871 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 164.51 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -97.4 133.24 42.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.496 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 68.6 m -57.79 -54.86 42.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.448 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 42.7 p -41.15 -56.25 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.14 -44.35 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -63.06 -58.04 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.496 ' CZ2' ' HB3' ' A' ' 11' ' ' SER . 10.5 m0 -51.52 -40.87 60.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.79 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -48.85 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.6 p -168.13 160.45 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 22' ' ' LEU . 32.0 tp -60.53 -44.95 95.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -42.11 -47.29 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.471 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 1.4 m120 -60.32 -32.87 71.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 32' ' ' PHE . 4.6 tp -73.41 -44.45 58.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.679 HD13 ' CH2' ' A' ' 48' ' ' TRP . 75.6 mt -68.13 -46.58 70.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 3.0 pp20? -60.62 -45.81 92.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.19 139.03 87.16 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -43.5 2.66 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -60.97 -40.5 93.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.66 -58.17 14.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -43.53 -52.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -49.14 -49.83 40.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -65.3 -50.54 65.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.716 ' CE2' HD11 ' A' ' 36' ' ' LEU . 9.8 t80 -49.42 -58.64 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH2' ' OE2' ' A' ' 42' ' ' GLU . 29.8 mtp-105 -44.35 -59.19 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -40.47 -57.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -52.97 -58.38 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.716 HD11 ' CE2' ' A' ' 32' ' ' PHE . 41.0 mt -48.72 -56.33 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' LEU . 7.1 ttpt -32.43 -47.6 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -45.74 -59.81 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -84.58 16.3 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 53.35 43.61 31.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.433 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.8 m -117.92 17.62 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.862 ' O ' HG22 ' A' ' 45' ' ' VAL . 37.8 tt0 -64.35 -55.05 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 1.0 OUTLIER -42.25 -34.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 47.9 m-20 -44.94 -40.97 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 42' ' ' GLU . 16.1 m -82.65 -32.86 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.7 mt -56.64 -39.73 74.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 14.0 t80 -76.98 -42.21 39.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.679 ' CH2' HD13 ' A' ' 23' ' ' LEU . 77.7 t90 -61.45 -57.09 13.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mt -47.01 -51.2 17.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.21 -37.77 55.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.7 m -57.53 -59.91 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 5.4 pt-20 -63.35 -31.56 72.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -74.94 -30.63 61.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -71.39 -28.94 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -91.18 -29.93 16.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -59.74 -35.57 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 66.1 mtm -60.13 159.62 9.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -115.88 -37.63 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.96 132.2 52.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -75.01 -45.38 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.5 m -55.77 -58.83 6.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -44.3 -41.18 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 mtp -61.7 -42.47 98.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -51.88 -45.58 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.98 -61.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -50.11 -33.23 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.53 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.447 ' HA ' HD22 ' A' ' 96' ' ' LEU . 11.5 pttt -64.0 -36.4 83.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.13 -64.09 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.2 mt -58.25 -39.18 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.625 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.3 t80 -58.51 -49.04 78.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.441 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 21.9 mtp -66.5 -5.9 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -82.59 -67.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 1.3 m-85 -111.1 -31.78 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 71' ' ' TYR . 23.1 mt -73.14 17.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 74' ' ' PHE . 37.3 t -120.35 158.34 27.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 t -79.05 144.3 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 59.51 41.47 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.01 136.89 46.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -48.51 -53.71 17.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.4 m -121.85 102.8 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -101.99 125.4 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.03 178.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.441 ' O ' HG13 ' A' ' 85' ' ' VAL . 73.8 m-20 -114.74 112.2 22.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.64 HG21 ' HB3' ' A' ' 88' ' ' GLN . 22.4 m -157.47 175.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -93.18 -61.66 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -115.3 104.8 1.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.64 ' HB3' HG21 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -140.45 178.04 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.419 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . 25.0 t 67.92 35.56 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -82.65 17.95 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -119.4 161.31 20.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.913 ' O ' HG22 ' A' ' 95' ' ' ILE . 6.5 m120 -127.45 158.37 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -36.66 -43.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 97' ' ' GLU . 1.3 mptp? -46.38 -44.36 16.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.913 HG22 ' O ' ' A' ' 92' ' ' ASN . 10.4 tt -41.56 -29.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 68' ' ' LYS . 59.6 mt -67.89 -39.99 83.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' LEU . 30.3 mt-10 -34.85 -60.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 64.7 mm-40 -114.45 101.99 54.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.73 143.07 49.78 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.469 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.81 146.78 14.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 19.02 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 100' ' ' HIS . 11.1 mt -111.63 -23.3 10.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.6 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 7.9 ptm -56.86 -47.0 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.6 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.9 m-85 -101.1 17.9 21.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -80.52 -58.07 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -61.24 -59.98 4.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.0 mt -46.83 -37.65 9.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.91 -34.88 79.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -59.87 -64.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -48.21 -50.29 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.74 -44.78 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -50.31 -47.82 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 68.0 m-80 -71.13 -45.41 63.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.6 tp -39.22 -49.84 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.481 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 29.1 mtm -82.72 -56.76 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 9.5 tttm -45.63 -23.75 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 3.4 m-85 -78.33 -67.56 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 119' ' ' SER . 1.0 OUTLIER -93.77 -67.01 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 118' ' ' ASP . 37.2 m -32.03 -70.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 116' ' ' LYS . 63.9 t80 -39.8 -51.73 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 m -59.78 -46.75 88.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -59.42 -40.76 87.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -58.37 -59.99 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.6 mt -44.21 -43.53 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.67 -43.57 79.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.0 p -54.88 145.98 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 128' ' ' LEU . 5.1 p-10 -58.01 -43.0 86.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.8 mt -33.32 -41.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.586 ' CZ ' ' HD2' ' A' ' 133' ' ' LYS . 38.3 t80 -84.09 -61.91 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 43.1 mt -42.58 -55.28 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 12.8 tttp -34.29 -62.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.405 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 6.9 t-80 -46.06 -51.71 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.586 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 18.3 mtpp -53.71 -46.61 70.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -64.5 -59.17 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.8 m -49.48 -50.12 42.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -66.44 174.98 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 51.93 32.09 9.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -58.45 164.88 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 2.4 pm0 -87.93 163.53 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -112.17 17.67 19.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.86 -2.82 7.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.28 154.07 64.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.579 0.704 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -40.24 5.54 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.0 m -94.16 125.15 38.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 150.14 150.05 5.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 177.88 5.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.6 m -64.9 172.1 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 91.9 p -148.51 166.5 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -80.99 -60.81 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -56.57 -45.78 81.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.23 -116.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 p -104.39 166.27 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -72.95 -56.48 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.26 -162.07 12.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.6 p -90.49 -38.9 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.84 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -89.66 156.19 18.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' N ' HD22 ' A' ' 9' ' ' LEU . 13.1 mmmt -107.95 157.14 18.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -87.97 -50.0 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.518 HG21 ' CA ' ' A' ' 133' ' ' LYS . 2.5 p -55.38 -31.55 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.0 81.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -59.14 -44.15 92.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -61.21 -45.86 92.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.13 83.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.17 -59.27 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -148.39 142.47 25.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.522 HD23 ' CE1' ' A' ' 112' ' ' PHE . 37.7 tp -49.04 -46.97 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -45.81 -53.78 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -44.37 -36.58 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 5.2 tp -71.44 -55.19 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.418 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 58.7 mt -54.91 -46.72 74.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 18.5 pt-20 -63.04 -41.63 99.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.3 m-20 -72.05 137.89 82.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.45 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -55.89 -37.28 68.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.11 -60.71 6.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 25' ' ' ASP . 94.8 t -42.58 -41.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 111.146 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -64.06 -61.28 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -51.46 -46.59 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -53.53 -60.1 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -44.42 -45.93 9.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -48.82 -59.79 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -60.96 -41.19 95.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.2 mt -54.48 -38.5 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -53.4 -38.08 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -43.35 -46.84 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.89 9.78 32.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 63.27 44.09 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -111.05 17.22 20.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.667 ' O ' HG22 ' A' ' 45' ' ' VAL . 34.7 tt0 -65.03 -31.69 73.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 46' ' ' LEU . 4.9 pt-20 -63.31 -33.9 76.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.541 ' HA ' HG12 ' A' ' 83' ' ' VAL . 27.3 m-20 -45.68 -44.4 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 42' ' ' GLU . 18.0 m -78.73 -33.47 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 43' ' ' GLU . 29.8 mt -56.19 -34.16 65.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 36.2 t80 -79.2 -50.3 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.418 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 87.9 t90 -52.28 -47.84 65.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.71 -47.82 84.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.35 -46.7 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.7 m -52.92 -51.32 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' OE1' ' CH2' ' A' ' 48' ' ' TRP . 27.3 mt-10 -60.81 -55.02 38.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.83 -18.91 9.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CE2' ' SD ' ' A' ' 103' ' ' MET . 49.2 t80 -82.13 -42.41 19.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -84.41 -20.23 32.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -68.87 -39.83 79.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ptp -76.15 152.5 36.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.71 10.03 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.68 118.35 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -61.87 -58.68 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.9 m -41.56 -57.91 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -54.57 -43.12 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.9 mtp -59.74 -42.46 93.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -44.7 -50.59 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' LYS . 8.5 mt-10 -72.09 -68.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HG3' HD11 ' A' ' 70' ' ' ILE . 7.6 tptp -35.81 -40.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.78 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.774 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -70.06 -38.87 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' A' ' 66' ' ' LYS . 2.9 tt0 -48.3 -34.52 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.507 HD11 ' HG3' ' A' ' 66' ' ' LYS . 77.7 mt -86.09 -46.75 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.623 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.9 t80 -57.51 -30.79 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.8 mmt -86.65 5.97 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 m -97.96 -56.73 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 1.5 m-85 -117.89 -32.17 4.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 71' ' ' TYR . 19.3 mt -79.48 15.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -119.28 150.15 40.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.8 m -75.63 152.19 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? 54.16 43.56 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.69 130.39 37.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.7 t -45.52 -53.79 8.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -117.33 102.83 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -113.2 125.1 53.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 44' ' ' ASN . 27.5 m -66.35 142.05 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.91 115.98 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.606 ' CG1' HD11 ' A' ' 111' ' ' ILE . 30.6 m -149.77 122.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.35 120.62 21.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.58 84.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.44 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -54.82 161.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 91' ' ' LEU . 72.9 m -68.63 173.78 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -76.38 15.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.708 ' CD1' HD11 ' A' ' 107' ' ' LEU . 52.4 mt -51.98 143.43 13.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.817 ' O ' HG22 ' A' ' 95' ' ' ILE . 16.1 m120 -137.78 164.27 29.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 10.3 mp0 -57.43 -23.85 52.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -58.22 -37.02 74.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.817 HG22 ' O ' ' A' ' 92' ' ' ASN . 16.1 tt -52.25 -23.8 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 68' ' ' LYS . 16.0 mt -67.19 -29.25 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -52.59 -42.07 64.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 43.3 mt-10 -126.47 102.38 26.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.74 128.81 16.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -151.86 148.4 21.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 110.893 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.7 4.18 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.636 2.224 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 6.0 mt -103.56 17.87 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.568 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 7.0 ptm -88.34 -45.87 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.8 m-85 -109.37 16.85 22.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -63.15 -41.15 99.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 2.2 mppt? -75.8 -53.47 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.708 HD11 ' CD1' ' A' ' 91' ' ' LEU . 7.1 mt -51.88 -31.61 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.23 -27.63 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -74.06 -66.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -43.7 -43.95 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.606 HD11 ' CG1' ' A' ' 85' ' ' VAL . 39.6 mm -67.43 -39.91 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.522 ' CE1' HD23 ' A' ' 19' ' ' LEU . 30.6 t80 -58.72 -61.02 2.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -64.57 -30.47 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 22.8 tp -50.88 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' TYR . 34.8 mtm -65.38 -26.45 68.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -56.08 -31.16 62.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -117.97 -13.92 10.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.406 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 1.0 OUTLIER -89.99 -68.74 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 122' ' ' ARG . 64.5 m -90.78 -60.45 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 115' ' ' MET . 56.5 t80 -32.15 -46.72 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 m -63.72 -47.48 80.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -69.72 -61.08 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 129' ' ' PHE . 25.4 t80 -34.78 -32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' ARG . 64.8 mt -70.57 -62.8 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -42.78 -37.13 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.453 ' O ' HD12 ' A' ' 130' ' ' LEU . 6.4 t -56.98 177.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 128' ' ' LEU . 10.5 m-20 -97.71 -38.61 9.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.7 tt -34.16 -41.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 123' ' ' PHE . 2.4 t80 -92.3 -57.37 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.481 HD23 ' HD3' ' A' ' 133' ' ' LYS . 51.3 mt -53.7 -58.53 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 127' ' ' ASP . 0.5 OUTLIER -44.83 -30.32 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -78.05 -45.02 24.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.518 ' CA ' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER -68.35 -28.51 67.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 135' ' ' THR . 0.2 OUTLIER -80.34 -67.56 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 134' ' ' ARG . 13.0 t -34.17 -39.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -53.7 -58.1 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -62.61 152.64 34.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -145.16 121.69 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.63 -19.79 54.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.86 163.2 17.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -110.8 5.85 20.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 142' ' ' LEU . 4.1 pp -99.1 153.5 37.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.562 0.696 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 129.49 17.7 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 79.4 p -80.08 -38.58 31.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 71.39 -121.27 8.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 136.62 33.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.5 p -62.27 -61.45 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.6 t 64.46 42.4 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -136.7 170.18 16.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -142.32 120.28 12.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.53 103.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -107.35 136.51 47.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -152.33 149.12 28.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.97 -90.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -90.8 153.6 20.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -52.71 141.38 21.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' N ' HD13 ' A' ' 9' ' ' LEU . 38.4 mmtt -78.74 178.28 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 37.3 p -83.46 -49.9 8.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.799 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.445 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 37.1 p -38.96 -53.35 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.498 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . . . -53.51 -44.28 68.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -60.52 -46.96 88.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 18.8 m0 -61.63 -50.91 70.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.29 -40.92 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.04 -54.62 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t -157.59 152.7 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.11 -41.01 91.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -47.23 -41.91 19.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -64.07 -35.68 81.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 5.8 tp -73.22 -50.12 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.612 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 31.5 mt -64.3 -45.57 87.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -61.33 -36.12 79.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 9.7 m-20 -87.27 142.76 33.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.84 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -51.52 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -46.19 -44.3 15.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.59 -61.98 6.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -42.65 -47.79 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -51.23 -53.06 38.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -65.38 -48.27 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.06 -45.96 64.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -54.59 -59.56 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -40.54 -54.0 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 122' ' ' ARG . 83.1 t80 -56.09 -64.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 69.9 mt -45.82 -59.02 3.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LEU . 1.1 tmmt? -36.4 -41.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -46.9 -49.32 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.59 17.93 19.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 60.52 38.71 18.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 t -102.62 -13.92 16.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.59 ' OE2' HD11 ' A' ' 46' ' ' LEU . 12.6 tt0 -43.03 -58.06 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.925 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 pt-20 -35.04 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.542 ' N ' ' O ' ' A' ' 42' ' ' GLU . 2.8 m120 -52.76 -66.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 46' ' ' LEU . 12.2 m -57.03 -39.51 66.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.925 HD12 ' HA ' ' A' ' 43' ' ' GLU . 81.9 mt -47.39 -38.8 13.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.538 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 4.3 t80 -79.68 -42.23 25.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.612 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 85.9 t90 -58.46 -47.35 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.4 mt -57.22 -55.51 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.51 -45.05 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.3 m -47.67 -56.05 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -66.85 -63.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.9 -39.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -57.97 -62.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.5 ptpt -56.39 -34.38 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 21.4 mtmm -60.77 -45.38 94.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 56' ' ' LYS . 14.6 mtm -34.41 -41.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 54.69 40.48 31.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -141.63 128.99 21.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -63.17 -61.19 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.2 m -47.81 -61.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -49.13 -40.57 33.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 mtt -66.69 -42.31 86.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -49.38 -38.57 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -81.48 -67.53 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' CB ' ' HE1' ' A' ' 57' ' ' MET . 31.5 tptt -41.25 -41.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -41.27 -67.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HA ' HD22 ' A' ' 96' ' ' LEU . 1.2 ptmm? -63.79 -35.84 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -50.92 -61.72 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.3 mt -57.94 -40.73 77.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.547 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 1.4 t80 -55.9 -51.02 69.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.411 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 84.1 mmm -69.44 -5.7 25.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 m -79.55 -63.07 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 1.7 m-85 -117.98 -30.96 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.731 HD22 HD21 ' A' ' 91' ' ' LEU . 28.7 mt -75.13 18.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 74' ' ' PHE . 3.8 t -107.49 165.31 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.4 p -80.62 -52.2 7.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -80.56 17.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' A' ' 82' ' ' GLN . . . -58.99 111.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.7 p -52.39 -33.51 43.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 m -125.59 104.4 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.468 ' HG3' ' HB3' ' A' ' 79' ' ' ALA . 5.7 mt-30 -110.37 147.69 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -104.81 165.51 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -85.6 129.26 34.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.836 HG21 ' HB3' ' A' ' 88' ' ' GLN . 2.4 m -143.58 170.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 8.1 pt-20 -111.54 -36.52 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -145.68 46.1 0.79 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.836 ' HB3' HG21 ' A' ' 85' ' ' VAL . 0.7 OUTLIER -96.06 -63.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLN . 3.3 t -36.8 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 88' ' ' GLN . 65.3 mtt180 -36.93 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.731 HD21 HD22 ' A' ' 75' ' ' LEU . 4.0 pp -61.09 174.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.737 ' O ' HG22 ' A' ' 95' ' ' ILE . 15.1 t-20 -165.87 166.35 17.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 92' ' ' ASN . 38.3 mt-10 -32.99 -37.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' ASN . 5.1 mmmm -53.06 -48.71 67.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 92' ' ' ASN . 8.4 tt -44.89 -23.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 68' ' ' LYS . 51.8 mt -77.86 -35.31 51.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 96' ' ' LEU . 18.2 mt-10 -32.06 -64.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.441 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 31.7 mt-10 -113.81 102.0 54.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.68 0.752 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.78 133.58 25.88 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.4 OUTLIER -152.96 148.74 20.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.84 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.4 Cg_endo -69.76 19.48 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.5 mt -115.58 -29.04 6.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.516 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 8.7 ptm -44.96 -43.13 8.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 10.5 m-85 -100.75 -29.38 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 104' ' ' PHE . 18.5 tt0 -31.98 -44.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 8.4 mptt -75.4 -49.73 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.423 HD12 ' HD1' ' A' ' 104' ' ' PHE . 31.9 mt -55.04 -34.05 63.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.594 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 30.3 tt0 -65.43 -30.94 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.0 -67.1 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -46.15 -51.12 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.3 mm -61.9 -41.4 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -56.94 -62.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 67.1 m-80 -55.94 -43.56 77.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' A' ' 118' ' ' ASP . 12.6 tp -42.1 -72.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.436 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 55.7 mtm -52.54 -29.99 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 113' ' ' ASN . 17.5 ttpt -47.85 -48.03 31.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.451 ' CE1' ' O ' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -115.47 3.87 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.484 ' HB3' ' O ' ' A' ' 114' ' ' LEU . 2.4 t0 -98.02 -63.7 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 121' ' ' SER . 14.1 m -97.68 -62.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.454 ' C ' ' O ' ' A' ' 119' ' ' SER . 74.9 t80 -32.92 -35.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 119' ' ' SER . 34.2 t -60.63 -61.78 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 11.5 ptp180 -68.17 -31.25 70.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -54.95 -35.5 64.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.39 -55.31 6.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -57.17 -35.23 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.6 p -54.44 163.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.5 m-20 -76.35 -41.16 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 127' ' ' ASP . 8.8 tp -33.99 -36.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 127' ' ' ASP . 32.6 t80 -96.06 -64.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 131' ' ' LYS . 25.5 mt -40.68 -50.98 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -33.99 -58.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 133' ' ' LYS . 8.4 t60 -65.63 -56.05 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 132' ' ' HIS . 2.0 ttpm? -36.24 -36.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -44.27 -56.36 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 4.4 t -43.25 -38.46 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.52 172.3 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -148.34 112.96 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -95.28 154.08 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -106.23 169.36 8.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -82.41 18.04 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.7 t70 53.29 32.16 13.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.578 ' H ' HD12 ' A' ' 142' ' ' LEU . 1.1 mp -60.84 153.68 62.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 11.44 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 142' ' ' LEU . 1.8 m -77.3 -53.36 7.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -85.8 151.57 25.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.39 30.39 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.7 t -122.9 130.43 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 10.7 t -72.78 -46.95 50.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -104.37 150.11 24.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.819 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -80.21 174.55 11.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.9 -120.88 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -147.05 136.53 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -66.96 -54.11 25.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.44 -48.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.1 t -106.51 108.9 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.39 . . . . 0.0 110.885 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 10' ' ' LYS . 2.2 tt -65.57 155.69 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.711 ' N ' HD23 ' A' ' 9' ' ' LEU . 1.7 mppt? -59.51 123.77 17.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.4 p -59.6 -52.51 65.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.503 HG21 ' HA ' ' A' ' 133' ' ' LYS . 16.4 p -47.01 -32.72 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -46.68 66.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -57.56 -41.42 80.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.499 ' CD1' ' N ' ' A' ' 15' ' ' TRP . 9.9 m0 -62.46 -62.1 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.76 -33.66 10.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.59 -49.25 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.7 m -164.32 164.48 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 112' ' ' PHE . 56.6 tp -64.79 -45.83 84.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 23' ' ' LEU . 48.0 mt-10 -45.75 -65.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -38.47 -45.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 32' ' ' PHE . 6.0 tp -62.97 -44.37 96.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.538 HD13 ' CH2' ' A' ' 48' ' ' TRP . 38.2 mt -64.23 -43.67 94.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -56.13 11.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' HG23 ' A' ' 29' ' ' VAL . 12.2 t70 -53.47 139.88 47.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.638 0.732 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.8 Cg_endo -69.8 -42.84 3.02 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.45 -41.78 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.78 -41.32 97.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 25' ' ' ASP . 94.9 t -66.16 -41.84 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.118 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -50.2 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' H ' ' HD2' ' A' ' 31' ' ' ARG . 1.4 mpt_? -51.63 -50.1 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.73 ' CD1' HD21 ' A' ' 22' ' ' LEU . 2.1 t80 -41.52 -44.6 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -73.41 -33.7 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' ARG . 71.1 mm-40 -66.32 -45.09 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -40.25 63.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.17 -52.13 65.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -47.81 -37.24 13.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -53.03 -47.77 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -93.4 11.08 29.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 57.83 38.27 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.5 m -114.38 16.82 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' OE2' HD11 ' A' ' 46' ' ' LEU . 25.8 tt0 -70.06 -31.24 68.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 4.6 pt-20 -54.38 -20.43 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -63.62 -60.74 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 46' ' ' LEU . 23.2 m -66.33 -45.11 90.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.52 ' N ' HG23 ' A' ' 45' ' ' VAL . 16.9 mt -41.85 -37.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -80.44 -35.21 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.538 ' CH2' HD13 ' A' ' 23' ' ' LEU . 88.6 t90 -65.23 -52.16 56.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.72 -55.11 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.65 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.2 m -47.73 -62.73 1.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.05 -55.91 17.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -46.86 -42.45 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -56.68 -57.12 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 15.2 ptpt -61.68 -29.2 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 16.8 mtmm -63.19 -33.96 76.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.1 mtm -71.52 126.77 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -84.91 -50.03 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -52.68 128.27 25.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' CD ' ' HG3' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -70.41 -54.42 12.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.6 m -40.5 -56.56 2.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -52.68 -38.46 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.4 mtp -69.08 -43.0 75.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.415 ' HG3' ' CD ' ' A' ' 60' ' ' LYS . 26.6 mt-30 -42.61 -38.91 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -80.7 -64.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -40.15 -34.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.99 -67.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.536 ' CB ' HD13 ' A' ' 96' ' ' LEU . 2.5 ptmm? -62.89 -33.75 75.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -49.5 -58.27 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.4 mt -63.51 -48.13 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.636 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.4 t80 -57.02 -31.39 65.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.4 mmt -82.96 0.66 43.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.52 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 15.8 m -94.99 -72.35 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 1.5 m-85 -98.07 -61.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 71' ' ' TYR . 24.7 mt -37.9 -38.27 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.8 t -62.51 154.61 28.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -78.73 156.59 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.78 32.49 14.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.52 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -71.97 133.18 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 m -44.91 -25.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.0 m -151.67 109.72 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -109.51 150.29 28.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.2 m -99.38 165.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -98.59 126.18 44.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 88' ' ' GLN . 22.0 m -153.15 173.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -58.46 -54.53 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.72 85.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.539 ' HB3' HG21 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -74.64 -39.65 61.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.411 ' C ' ' N ' ' A' ' 91' ' ' LEU . 14.9 m -42.35 -27.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -45.08 -21.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.716 HD22 HD12 ' A' ' 95' ' ' ILE . 45.5 mt -81.33 161.38 23.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.822 ' O ' HG22 ' A' ' 95' ' ' ILE . 64.9 m-20 -153.75 152.48 30.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -40.14 -26.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -61.96 -46.43 89.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.822 HG22 ' O ' ' A' ' 92' ' ' ASN . 5.8 tt -46.61 -21.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.536 HD13 ' CB ' ' A' ' 68' ' ' LYS . 57.2 mt -73.89 -37.36 64.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 96' ' ' LEU . 48.3 mt-10 -34.03 -58.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 49.7 mt-10 -109.35 102.02 47.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.2 Cg_endo -69.75 127.22 14.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.486 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -154.5 148.73 19.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 5.55 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 2.5 mt -97.08 -20.29 18.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.572 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 7.9 ptm -59.48 -26.75 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 103' ' ' MET . 8.9 m-85 -116.12 -21.41 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -41.53 -51.24 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -62.82 -68.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -38.42 -45.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.446 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 44.6 tt0 -43.56 -65.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' GLN . 11.2 t70 -36.29 -58.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -44.7 -56.53 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.49 -48.42 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.463 ' CD1' HD23 ' A' ' 19' ' ' LEU . 31.2 t80 -42.25 -51.97 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.35 -45.14 56.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 tp -40.29 -68.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 120' ' ' TYR . 17.6 mtm -62.79 -18.2 62.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -65.84 -36.45 83.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.27 -5.61 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -92.54 -67.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 122' ' ' ARG . 22.1 p -97.08 -60.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 115' ' ' MET . 9.6 t80 -34.95 -43.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -41.75 99.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 119' ' ' SER . 6.2 ttp-105 -74.71 -37.74 62.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 126' ' ' SER . 35.6 t80 -50.82 -58.45 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 68.0 mt -43.64 -41.67 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -25.46 56.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 123' ' ' PHE . 22.6 t -57.98 175.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 129' ' ' PHE . 6.3 p-10 -91.85 -48.32 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 128' ' ' LEU . 1.9 tt -33.65 -34.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' ASP . 20.9 t80 -89.86 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 35.1 mt -36.24 -59.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 40.9 mttt -34.74 -54.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.882 ' O ' HG22 ' A' ' 135' ' ' THR . 12.4 t60 -72.12 -43.03 65.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.503 ' HA ' HG21 ' A' ' 12' ' ' THR . 6.7 ttpp -43.69 -34.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 136' ' ' GLU . 15.3 mmt180 -48.01 -50.5 27.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.882 HG22 ' O ' ' A' ' 132' ' ' HIS . 9.9 t -36.52 -32.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 134' ' ' ARG . 7.5 tt0 -54.55 -57.33 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.8 132.3 54.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -105.99 168.2 9.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.9 -19.56 57.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.69 136.29 56.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.43 8.31 23.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 78.9 mt -72.25 149.69 91.77 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.617 0.723 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -175.89 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.25 . . . . 0.0 112.367 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 49.1 m -121.0 163.96 17.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -137.06 144.7 16.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 138.87 38.57 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 t -85.28 -50.81 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 5.0 m -56.75 -51.59 68.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -70.05 -53.77 16.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -85.15 172.84 10.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.809 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.04 -107.89 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -68.25 -47.73 66.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.83 0.347 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.8 p -61.68 -38.1 86.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 38.15 58.15 1.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.7 m -55.37 -37.39 67.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.42 174.23 5.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.01 126.97 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.47 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 69.4 p -97.94 -49.45 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.665 HG21 ' N ' ' A' ' 133' ' ' LYS . 24.7 p -54.18 -60.28 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.04 -44.77 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -58.83 -49.69 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 7.5 m0 -58.96 -49.36 78.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . . . -60.23 -41.02 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.049 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.49 -57.49 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -154.61 141.19 18.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 tp -48.84 -48.66 41.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -42.77 -52.5 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 76.9 m-20 -51.96 -36.65 50.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.448 HD21 ' CG ' ' A' ' 32' ' ' PHE . 3.2 tp -73.31 -42.49 62.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.66 HD13 ' CH2' ' A' ' 48' ' ' TRP . 40.3 mt -64.48 -46.3 83.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 13.6 pt-20 -58.33 -42.81 87.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.1 m-20 -73.01 134.81 80.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.611 0.72 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.89 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -55.06 -45.0 75.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.4 -57.17 21.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.708 HG12 ' HE ' ' A' ' 33' ' ' ARG . 78.7 t -42.09 -44.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -52.79 -61.29 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -51.63 -46.23 63.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.4 t80 -53.04 -57.17 11.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.708 ' HE ' HG12 ' A' ' 29' ' ' VAL . 37.8 mtm180 -46.42 -63.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' ARG . 2.9 mm-40 -32.86 -59.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -51.71 -67.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.641 HD22 HD21 ' A' ' 44' ' ' ASN . 74.7 mt -45.85 -58.76 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -37.55 -40.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -50.09 -45.51 52.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' OE1' ' NH2' ' A' ' 122' ' ' ARG . 8.6 pt-20 -95.05 13.55 24.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 53.04 44.9 29.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 33.7 m -116.82 -13.67 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.714 ' OE2' HD21 ' A' ' 46' ' ' LEU . 25.7 tt0 -39.72 -37.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 19.3 pm0 -36.7 -27.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.641 HD21 HD22 ' A' ' 36' ' ' LEU . 1.3 p30 -61.1 -59.87 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 42' ' ' GLU . 29.8 m -65.02 -39.65 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.714 HD21 ' OE2' ' A' ' 42' ' ' GLU . 95.3 mt -53.63 -38.08 63.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 2.2 t80 -83.74 -39.67 19.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.66 ' CH2' HD13 ' A' ' 23' ' ' LEU . 76.5 t90 -56.75 -52.24 65.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' CZ3' ' A' ' 48' ' ' TRP . 4.8 mt -55.47 -43.31 75.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.6 71.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.4 m -48.85 -62.66 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 11.6 mm-40 -52.67 -61.5 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -40.61 -44.47 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 55.6 t80 -54.03 -63.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 16.8 ptpt -55.5 -35.42 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 29.2 mtpp -57.8 -44.29 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 63.8 mtm -58.41 130.98 49.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -87.76 -44.75 10.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -53.58 136.67 38.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -78.64 -51.41 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.3 m -43.86 -58.08 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.7 -42.4 62.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.449 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 40.5 mtp -60.51 -44.95 95.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -48.94 -42.85 38.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 40.7 mt-10 -77.88 -55.27 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -50.64 -32.92 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.34 -68.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.498 ' HA ' HD22 ' A' ' 96' ' ' LEU . 14.5 ptmt -56.66 -42.41 78.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.91 -59.51 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.7 mt -57.15 -49.61 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -53.51 -44.48 69.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.463 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 97.3 mmm -68.07 -2.23 7.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 m -94.24 -69.26 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 2.3 m-85 -100.81 -36.13 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.901 HD13 ' CD1' ' A' ' 91' ' ' LEU . 15.7 mt -76.49 17.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 2.3 t -120.38 170.16 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.5 m -82.55 153.57 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.13 37.07 11.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 82' ' ' GLN . . . -91.77 116.84 29.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -68.56 -43.65 76.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.451 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -89.07 17.89 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.55 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 6.4 tt0 -54.29 113.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.33 175.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -118.11 113.02 20.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' HB ' ' NE2' ' A' ' 110' ' ' GLN . 35.2 m -149.8 164.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -96.05 122.09 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.79 44.59 14.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 90' ' ' ARG . 1.7 tm0? -73.16 -54.63 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' ARG . 42.7 t -44.62 -21.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 88' ' ' GLN . 17.0 ttm180 -37.52 -33.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.901 ' CD1' HD13 ' A' ' 75' ' ' LEU . 1.5 pt? -92.16 159.73 15.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.606 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.5 m120 -151.85 159.68 43.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 92' ' ' ASN . 2.4 mp0 -31.91 -38.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 92' ' ' ASN . 46.7 mmtt -49.89 -49.18 50.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 92' ' ' ASN . 13.0 tt -42.48 -24.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 68' ' ' LYS . 44.1 mt -73.71 -38.76 64.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' LYS . 52.1 mt-10 -33.04 -59.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 5.8 pt-20 -111.35 102.03 52.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.68 0.752 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.0 Cg_endo -69.75 131.77 21.94 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.23 148.06 16.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 0.0 110.832 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.456 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 52.9 Cg_endo -69.84 18.12 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.1 mt -112.43 -27.92 8.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.51 ' HB2' HD11 ' A' ' 95' ' ' ILE . 7.8 ptm -47.77 -43.37 27.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' GLN . 9.2 m-85 -96.3 -36.93 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 104' ' ' PHE . 19.5 tm0? -33.37 -44.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -63.19 -62.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 108' ' ' GLN . 15.3 mt -53.32 -52.01 60.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.537 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 62.0 tt0 -38.04 -53.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -41.62 -45.97 3.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.444 ' NE2' ' HB ' ' A' ' 85' ' ' VAL . 26.9 mt-30 -60.36 -61.05 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.438 ' N ' ' CD1' ' A' ' 111' ' ' ILE . 0.4 OUTLIER -52.26 -56.82 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' ILE . 89.7 t80 -37.4 -40.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.568 ' OD1' ' CD1' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -81.55 -43.75 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 113' ' ' ASN . 14.4 tp -36.01 -60.21 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.425 ' SD ' HG23 ' A' ' 111' ' ' ILE . 2.0 mpp? -66.59 -40.29 88.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 120' ' ' TYR . 19.5 ttpt -47.34 -23.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.568 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 25.0 m-85 -117.91 -30.33 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.64 -69.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 121' ' ' SER . 32.6 p -90.55 -59.09 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.507 ' CB ' ' HA ' ' A' ' 116' ' ' LYS . 56.9 t80 -34.59 -30.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 119' ' ' SER . 3.7 m -77.73 -68.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.448 ' NH2' ' OE1' ' A' ' 39' ' ' GLU . 14.6 ptt180 -63.15 -49.06 75.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -39.87 -54.0 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.0 mt -54.15 -44.42 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -70.58 -29.04 65.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 m -62.8 176.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.0 OUTLIER -82.55 -43.51 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.0 mt -33.43 -37.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 16' ' ' ALA . 26.3 t80 -98.0 -67.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' PHE . 12.3 mt -37.61 -46.92 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -60.03 3.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -55.31 -57.12 13.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.665 ' N ' HG21 ' A' ' 12' ' ' THR . 27.8 tttp -44.67 -58.62 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 134' ' ' ARG . 0.9 OUTLIER -45.2 -52.98 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 81.3 m -46.21 -45.95 17.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.7 173.78 12.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -88.94 138.22 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -81.08 165.02 22.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -93.96 173.94 7.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.02 169.84 8.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.05 36.12 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 57.3 mt -54.02 140.27 52.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.581 0.705 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 107.0 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.745 2.296 . . . . 0.0 112.351 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.2 p -63.93 -55.07 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 121.58 148.06 7.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.64 33.48 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 75.4 m -74.76 -62.04 1.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.3 t -132.83 124.38 27.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.545 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mptt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.792 0.329 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 m -90.24 -54.12 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -39.11 -45.28 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.2 69.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -60.01 -57.56 12.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.437 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 11.4 m0 -54.02 -43.63 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HA ' HD21 ' A' ' 124' ' ' LEU . . . -62.9 -43.9 97.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.98 -57.98 7.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 m -151.34 135.5 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.545 HD23 ' CE1' ' A' ' 112' ' ' PHE . 50.0 tp -47.3 -40.71 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -49.75 -44.21 48.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -58.03 -31.85 67.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 32' ' ' PHE . 5.6 tp -78.27 -39.89 38.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.548 HD13 ' CH2' ' A' ' 48' ' ' TRP . 34.5 mt -68.53 -44.38 74.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 14.6 pt-20 -62.59 -39.79 94.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 33.8 m-20 -76.97 145.17 73.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -44.27 2.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.01 -45.83 86.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' CA ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.14 -50.12 66.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.43 -42.05 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -55.96 -49.55 73.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -73.33 -58.84 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.455 ' HB2' HD21 ' A' ' 22' ' ' LEU . 8.3 t80 -38.78 -49.26 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -53.08 -59.21 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -43.73 -51.45 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.517 ' HB2' HD22 ' A' ' 128' ' ' LEU . 4.1 t80 -52.86 -47.59 67.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' A' ' 42' ' ' GLU . 77.7 mt -67.49 -61.1 2.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -34.14 -36.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.1 mtpt -43.84 -57.74 3.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -93.29 16.0 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 54.04 45.08 28.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 m -114.0 -10.93 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.697 ' O ' HG22 ' A' ' 45' ' ' VAL . 8.5 pm0 -45.08 -32.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' OE2' ' C ' ' A' ' 81' ' ' SER . 8.5 pt-20 -38.48 -26.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.59 ' HA ' HG12 ' A' ' 83' ' ' VAL . 71.0 m-20 -62.16 -53.32 56.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 42' ' ' GLU . 26.9 m -65.34 -29.92 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.49 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.556 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 12.4 t80 -81.33 -39.84 24.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.548 ' CH2' HD13 ' A' ' 23' ' ' LEU . 85.5 t90 -60.81 -50.22 74.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 mt -53.26 -50.43 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . -50.73 -52.82 36.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 108' ' ' GLN . 82.3 m -35.7 -54.12 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.45 -63.22 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.28 -44.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 83.7 t80 -52.25 -59.46 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 9.7 ptpt -62.02 -33.27 74.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 31.3 mtpt -59.03 -58.52 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' LYS . 54.1 mtm -35.58 -40.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 53.36 38.43 27.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.935 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 63' ' ' MET . 8.0 m-20 -127.14 132.42 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -66.48 -59.36 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.0 m -51.06 -63.13 1.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -49.78 -40.62 42.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 5.2 mtt -63.95 -48.12 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -42.22 -38.09 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -81.48 -68.7 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -39.17 -37.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.9 -68.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HA ' HD22 ' A' ' 96' ' ' LEU . 12.9 pttp -62.7 -35.6 80.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -52.41 -62.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.1 mt -59.67 -44.8 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.558 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.3 t80 -54.57 -45.6 73.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mmm -75.65 2.83 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.408 HG22 ' CE1' ' A' ' 74' ' ' PHE . 25.5 m -92.27 -59.56 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -118.04 -28.98 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.59 HD13 HD22 ' A' ' 91' ' ' LEU . 21.2 mt -80.61 18.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -109.3 161.17 15.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.2 t -73.27 -45.24 56.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -82.88 17.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.86 112.75 3.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -59.12 -30.2 67.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.449 ' C ' ' OE2' ' A' ' 43' ' ' GLU . 2.2 m -128.05 101.99 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -105.45 115.23 29.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 44' ' ' ASN . 19.8 m -55.72 165.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.554 ' O ' HD22 ' A' ' 114' ' ' LEU . 44.8 t-20 -97.07 128.68 44.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 84' ' ' ASN . 17.0 m -156.58 173.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -75.1 -45.74 39.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.95 68.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 10.7 pt20 -90.19 17.57 6.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.8 m -80.37 -8.47 59.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -48.81 -31.33 6.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 75' ' ' LEU . 3.6 pp -68.07 171.33 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.716 ' O ' HG22 ' A' ' 95' ' ' ILE . 2.3 t-20 -167.78 167.74 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -37.7 -26.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 92' ' ' ASN . 48.1 mmtt -65.29 -46.39 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 92' ' ' ASN . 8.4 tt -45.12 -23.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' GLU . 34.0 mt -78.51 -35.08 46.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' LEU . 13.9 mt-10 -33.38 -67.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.1 pm0 -106.91 102.03 40.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.727 . . . . 0.0 110.825 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.2 Cg_endo -69.84 130.12 18.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 0.0 112.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.479 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.52 148.55 19.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.576 0.703 . . . . 0.0 110.851 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 53.8 Cg_endo -69.82 18.85 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.5 mt -113.91 -17.78 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.54 ' HB2' HD11 ' A' ' 95' ' ' ILE . 8.3 ptm -65.43 -38.17 89.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.574 ' HD1' HD12 ' A' ' 107' ' ' LEU . 25.2 m-85 -100.55 -37.63 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 104' ' ' PHE . 2.2 tp-100 -32.0 -48.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -72.22 -53.61 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.574 HD12 ' HD1' ' A' ' 104' ' ' PHE . 50.8 mt -50.23 -31.63 14.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.493 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 30.3 tt0 -75.91 -34.46 59.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.38 -56.71 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -55.3 -56.57 18.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.1 mm -47.37 -41.95 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.57 ' CE2' ' HD2' ' A' ' 116' ' ' LYS . 23.1 t80 -53.51 -52.38 59.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -37.54 87.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 84' ' ' ASN . 10.8 tp -54.53 -59.84 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 120' ' ' TYR . 49.9 mtm -65.92 -29.51 69.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.838 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.57 ' HD2' ' CE2' ' A' ' 112' ' ' PHE . 3.2 mtpm? -54.37 -35.08 62.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -116.77 -15.57 10.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 29.1 t70 -85.64 -63.58 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 120' ' ' TYR . 14.3 m -95.32 -62.99 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 115' ' ' MET . 30.5 t80 -35.6 -65.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 120' ' ' TYR . 1.7 m -37.18 -52.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.432 ' HG2' ' NZ ' ' A' ' 125' ' ' LYS . 33.5 mtm180 -65.47 -52.14 55.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.511 ' HE1' HD23 ' A' ' 128' ' ' LEU . 68.6 t80 -38.19 -44.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 16' ' ' ALA . 87.8 mt -62.9 -53.56 52.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.432 ' NZ ' ' HG2' ' A' ' 122' ' ' ARG . 10.5 pttm -81.58 15.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.2 m -100.75 154.36 18.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -60.29 -45.6 92.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.517 HD22 ' HB2' ' A' ' 35' ' ' PHE . 10.2 tp -40.15 -40.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -93.14 -56.16 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 131' ' ' LYS . 29.4 mt -43.93 -57.87 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 130' ' ' LEU . 17.4 mmtp -34.11 -54.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -66.14 -43.58 86.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 130' ' ' LEU . 40.3 tttp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.787 0.327 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 p -57.39 -47.71 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 p -43.24 -54.34 4.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.81 -42.09 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -63.92 -58.24 7.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -53.04 -52.34 58.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.32 77.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.49 -51.05 21.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.8 m -159.64 152.37 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 112' ' ' PHE . 20.7 tp -57.92 -44.53 86.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -45.71 -59.05 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 58.3 m-20 -40.58 -34.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' A' ' 32' ' ' PHE . 6.5 tp -72.48 -44.49 62.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.65 -46.57 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -60.86 -46.15 91.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.494 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 43.0 m-20 -72.44 143.34 85.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -50.4 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -50.76 -41.72 56.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.16 -63.89 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -38.25 -52.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' N ' ' HE3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -53.69 -56.92 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' PHE . 20.3 mmt-85 -59.83 -64.39 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.741 ' HB2' HD21 ' A' ' 22' ' ' LEU . 8.8 t80 -37.86 -54.79 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' GLU . 35.3 mtt180 -45.64 -66.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' ARG . 1.6 mm-40 -34.25 -58.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.588 ' CZ ' ' OE2' ' A' ' 39' ' ' GLU . 2.1 t80 -54.99 -45.08 74.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.74 HD11 ' CE2' ' A' ' 32' ' ' PHE . 84.0 mt -62.21 -60.05 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.3 ttmm -36.02 -52.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -46.67 -60.13 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.588 ' OE2' ' CZ ' ' A' ' 35' ' ' PHE . 9.3 pt-20 -75.41 6.5 4.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 63.14 41.6 7.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -111.96 -7.08 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.738 ' OE2' HD11 ' A' ' 46' ' ' LEU . 9.0 tt0 -53.75 -50.76 65.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.956 ' HA ' HD12 ' A' ' 46' ' ' LEU . 14.8 pm0 -40.34 -29.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -60.62 -60.17 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 42' ' ' GLU . 22.3 m -63.14 -35.15 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.956 HD12 ' HA ' ' A' ' 43' ' ' GLU . 84.6 mt -51.82 -40.65 60.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 23.1 t80 -79.88 -49.82 11.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.506 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 44.6 t90 -52.16 -40.5 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.36 -51.54 59.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.68 -27.75 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.0 m -66.7 -66.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.12 -24.75 11.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -81.41 -33.74 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -68.89 -24.06 64.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 3.6 ptpp? -95.57 -30.96 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 57' ' ' MET . 7.5 ptpt -59.28 -33.07 70.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.503 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 31.2 mtm -61.2 146.13 48.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -97.24 -47.95 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -56.6 140.69 45.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -82.91 -48.42 10.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.0 m -46.59 -56.2 6.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -50.25 -36.23 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.8 mtp -70.76 -41.95 71.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -46.95 -42.07 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -78.77 -60.19 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -48.41 -28.48 3.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.5 -66.69 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.535 ' HA ' HD22 ' A' ' 96' ' ' LEU . 14.6 pttt -65.37 -34.28 77.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -48.03 -66.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.4 mt -55.62 -37.04 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.738 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -60.14 -42.84 95.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 94.2 mmm -74.95 8.05 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.0 m -98.05 -68.46 0.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -111.55 -29.73 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.832 HD13 HD11 ' A' ' 91' ' ' LEU . 19.8 mt -75.37 10.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.9 OUTLIER -118.63 177.14 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.1 m -91.85 157.44 16.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp 62.07 34.53 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.77 113.39 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.1 m -62.97 -38.61 91.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.2 p -87.01 17.05 4.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.01 122.43 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.49 173.91 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -104.87 117.23 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.419 HG11 HE21 ' A' ' 110' ' ' GLN . 22.7 m -151.14 146.93 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -41.86 -58.22 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.95 110.51 1.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.65 167.06 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.4 m 63.29 32.05 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 mmm-85 -88.88 -32.01 17.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.832 HD11 HD13 ' A' ' 75' ' ' LEU . 1.3 pt? -71.72 125.34 26.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.875 ' O ' HG22 ' A' ' 95' ' ' ILE . 62.4 m-80 -73.7 169.32 17.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.86 -29.68 70.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -35.5 53.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.875 HG22 ' O ' ' A' ' 92' ' ' ASN . 4.4 tt -49.22 -21.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 68' ' ' LYS . 57.9 mt -75.47 -33.18 60.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -41.75 -64.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.432 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 9.9 pt-20 -105.16 102.02 33.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.646 0.736 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.0 Cg_endo -69.76 133.23 25.07 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.78 151.67 21.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 6.58 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.504 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 7.5 mt -110.39 17.97 20.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.716 ' HB2' HD11 ' A' ' 95' ' ' ILE . 11.4 ptm -93.29 -43.65 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 6.2 m-85 -100.28 -37.59 8.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 104' ' ' PHE . 4.2 tt0 -34.28 -48.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -44.43 -61.52 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.42 -40.5 91.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.506 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 37.9 tt0 -51.08 -19.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.96 -59.85 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.419 HE21 HG11 ' A' ' 85' ' ' VAL . 11.6 pt20 -60.59 -37.45 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.9 mm -63.37 -37.13 78.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.427 ' CE1' HD23 ' A' ' 19' ' ' LEU . 20.7 t80 -55.69 -62.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -64.68 -36.0 82.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 tp -41.67 -64.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 120' ' ' TYR . 36.4 mtm -69.85 -24.23 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -56.64 -30.71 63.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -115.82 -14.14 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -93.71 -56.76 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 120' ' ' TYR . 31.8 m -95.41 -67.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 123' ' ' PHE . 68.4 t80 -36.24 -67.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.9 t -39.51 -35.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.437 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 13.8 ttm180 -84.4 -33.42 23.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 120' ' ' TYR . 52.5 t80 -53.18 -52.12 59.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.9 mt -49.94 -35.9 25.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -76.06 -37.99 57.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.6 m -54.65 168.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -80.3 -44.66 19.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 127' ' ' ASP . 9.4 tp -33.6 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 127' ' ' ASP . 50.0 t80 -91.03 -67.9 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 131' ' ' LYS . 91.5 mt -36.14 -45.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -34.16 -59.7 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -66.8 -46.93 73.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.416 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 25.4 tttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.9 p -97.77 -40.96 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -52.14 -50.93 60.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.6 -41.6 42.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -64.01 -51.93 61.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CZ2' ' HA2' ' A' ' 28' ' ' GLY . 20.1 m0 -57.83 -55.82 29.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.87 -38.09 61.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.9 38.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.9 p -157.92 140.4 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 25.4 tp -48.49 -46.15 37.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -44.2 -52.85 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.498 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 92.3 m-20 -49.04 -36.06 17.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.572 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.2 tp -70.67 -36.99 73.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.494 HD13 ' CH2' ' A' ' 48' ' ' TRP . 32.5 mt -73.56 -45.41 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 3.0 pp20? -63.6 -45.44 90.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.5 t0 -66.75 130.61 94.01 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.0 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.72 -35.04 73.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.557 ' HA2' ' CZ2' ' A' ' 15' ' ' TRP . . . -69.51 -54.33 13.28 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 25' ' ' ASP . 88.2 t -44.41 -42.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -46.25 -60.13 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.447 ' C ' HD21 ' A' ' 128' ' ' LEU . 2.9 mpt_? -55.4 -60.0 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CD1' HD21 ' A' ' 22' ' ' LEU . 3.2 t80 -36.48 -62.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -45.97 -50.45 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -54.78 -54.32 43.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -55.01 -43.64 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' LYS . 81.2 mt -61.77 -57.46 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -35.23 -37.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -43.68 -52.64 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -102.31 17.98 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 59.71 44.92 13.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 10.6 p -107.39 -12.48 15.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.745 ' O ' HG22 ' A' ' 45' ' ' VAL . 27.1 tt0 -39.58 -60.07 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.1 tp10 -34.77 -37.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 41' ' ' SER . 10.3 m-20 -43.47 -49.18 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 42' ' ' GLU . 27.6 m -75.29 -30.7 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 43' ' ' GLU . 31.1 mt -58.69 -36.99 75.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.562 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 23.5 t80 -83.32 -38.91 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.494 ' CH2' HD13 ' A' ' 23' ' ' LEU . 63.7 t90 -63.23 -52.98 60.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.39 -46.01 69.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.95 -48.1 61.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.8 m -49.85 -50.98 43.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 6.0 tm-20 -59.4 -62.61 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -48.96 -34.68 13.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -62.67 -60.2 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 13.1 ptpt -53.77 -33.29 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 53.2 mtpt -56.45 -42.74 78.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.6 mtm -56.84 133.02 54.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -96.26 -43.37 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -53.39 127.73 25.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -67.05 -54.15 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 m -48.73 -61.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -45.37 -38.62 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 54.5 mtp -66.89 -44.33 81.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.496 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 30.9 mt-30 -43.54 -49.39 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.415 ' HA ' ' CE ' ' A' ' 68' ' ' LYS . 15.6 mt-10 -64.97 -66.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -45.22 -26.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -56.9 -69.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.8 -30.79 71.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 10.3 mt-10 -50.35 -57.53 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.0 mt -71.65 -41.36 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.667 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -57.96 -31.15 66.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mmt -84.64 -6.29 59.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 52.8 m -91.62 -68.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -97.99 -66.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.759 HD11 ' CE1' ' A' ' 104' ' ' PHE . 34.0 mt -34.73 -45.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 t -52.41 123.18 10.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -57.93 -26.56 62.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -80.15 13.99 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 73' ' ' THR . . . -87.34 141.91 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.4 t -93.61 -38.96 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.405 ' HB2' ' OE2' ' A' ' 43' ' ' GLU . 14.7 m -82.27 17.34 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -51.96 118.84 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -57.11 156.62 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -71.51 115.04 10.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 88' ' ' GLN . 9.6 m -151.35 143.61 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -46.23 -48.94 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.45 79.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.527 ' CG ' HG21 ' A' ' 85' ' ' VAL . 3.8 pt20 -81.45 -41.77 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 88' ' ' GLN . 30.9 t -40.24 -24.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 88' ' ' GLN . 18.8 ttt180 -38.57 -32.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -57.0 159.39 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.619 ' O ' HG22 ' A' ' 95' ' ' ILE . 82.6 m-20 -113.82 -179.05 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -86.24 -20.48 28.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -57.19 -37.79 72.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.878 HD11 ' HB2' ' A' ' 103' ' ' MET . 0.7 OUTLIER -51.89 -40.73 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLU . 65.0 mt -51.21 -43.82 61.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' LEU . 27.8 mt-10 -34.55 -65.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.01 102.89 45.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 140.71 43.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.322 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.84 148.49 17.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 110.878 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 13.99 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.37 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 8.7 mt -110.74 -12.68 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.878 ' HB2' HD11 ' A' ' 95' ' ' ILE . 7.3 ptm -62.83 -51.34 67.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.759 ' CE1' HD11 ' A' ' 75' ' ' LEU . 2.4 m-85 -102.89 17.74 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -71.48 -47.09 57.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -72.8 -54.96 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 104' ' ' PHE . 6.1 mt -48.06 -35.31 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.485 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 52.5 tt0 -68.36 -35.58 77.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -63.03 -62.77 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -46.0 -47.36 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.0 -38.95 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -49.32 -57.5 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 114' ' ' LEU . 18.5 m-80 -65.25 -46.97 78.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 12.6 tp -35.35 -58.89 0.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 120' ' ' TYR . 51.6 mtm -73.48 -29.19 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 113' ' ' ASN . 28.7 tttm -52.58 -31.54 36.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -117.44 -24.72 7.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 26.1 t0 -79.83 -57.42 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 120' ' ' TYR . 19.5 m -96.39 -67.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 115' ' ' MET . 37.8 t80 -32.92 -50.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.4 t -54.97 -57.01 13.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 123' ' ' PHE . 43.4 mmm-85 -60.52 -54.05 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' A' ' 122' ' ' ARG . 22.0 t80 -32.54 -61.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 47.2 mt -44.41 -56.07 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -43.92 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.1 t -54.9 150.82 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -58.53 -44.26 89.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.447 HD21 ' C ' ' A' ' 31' ' ' ARG . 63.2 tp -34.97 -33.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 127' ' ' ASP . 60.9 t80 -96.34 -59.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 131' ' ' LYS . 56.1 mt -45.89 -53.1 10.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 130' ' ' LEU . 13.1 mmmt -34.32 -61.22 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -62.48 -40.57 97.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 47.9 tttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.51 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 4.5 m -85.63 -57.81 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.9 p -38.83 -25.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' SER . . . -63.65 -66.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.591 ' HG3' ' CD1' ' A' ' 15' ' ' TRP . 4.6 pttm -48.98 -34.64 13.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.591 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 10.2 m0 -76.43 -40.97 49.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.12 -36.91 81.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.69 -60.38 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.9 m -151.99 171.07 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.648 HD23 ' CE1' ' A' ' 112' ' ' PHE . 24.1 tp -73.54 -38.51 65.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.26 -45.61 45.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 28.6 m-20 -64.76 -21.99 66.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.699 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.5 tp -85.57 -47.08 10.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.497 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 44.8 mt -67.25 -40.35 86.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 12.5 pt-20 -60.62 -45.78 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 7.1 m-20 -81.83 143.43 50.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.722 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.258 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -56.06 -36.32 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.21 -52.31 32.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 23' ' ' LEU . 72.6 t -48.56 -51.11 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -53.86 -55.3 27.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HA ' ' CD ' ' A' ' 34' ' ' GLU . 27.5 mmm-85 -60.74 -12.25 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.699 ' CD1' HD21 ' A' ' 22' ' ' LEU . 37.5 t80 -87.87 -35.27 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' GLU . 54.0 mtp180 -72.43 -43.91 63.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.541 ' CG ' HD21 ' A' ' 128' ' ' LEU . 1.9 pt-20 -37.39 -51.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -69.07 -54.23 16.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.1 mt -43.13 -49.27 6.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -49.62 -39.63 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -48.43 -51.9 24.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -95.53 13.71 25.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 55.64 42.51 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -109.9 10.13 24.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -55.42 -31.96 62.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.651 ' HA ' HD12 ' A' ' 46' ' ' LEU . 7.5 pt-20 -58.37 -17.57 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -61.24 -65.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.54 -35.97 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 43' ' ' GLU . 30.0 mt -48.86 -40.26 28.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 6.5 t80 -79.25 -37.39 38.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.497 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 87.4 t90 -61.12 -52.81 63.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 31.1 mt -49.8 -56.49 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -36.1 -55.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 58.1 m -46.07 -67.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 8.9 mm-40 -44.88 -35.66 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.17 -35.08 61.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 35.1 t80 -65.44 -49.76 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' CD ' ' HA ' ' A' ' 52' ' ' GLU . 1.4 ptmm? -63.02 -31.66 72.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -60.45 -37.9 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.9 mtm -66.82 134.01 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -97.4 -47.03 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -53.27 137.96 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 63' ' ' MET . 47.1 tttt -74.51 -60.17 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.6 m -36.49 -57.46 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -52.59 -41.76 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.472 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 4.5 mtt -66.57 -47.8 71.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -39.42 -41.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -75.47 -67.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HG3' ' CD1' ' A' ' 70' ' ' ILE . 32.7 tptt -40.55 -34.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.47 -67.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.633 ' HB3' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -67.28 -31.89 72.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -53.1 -53.92 43.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 48.1 mt -69.94 -37.24 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.783 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.5 t80 -64.03 -19.16 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.425 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 6.8 mmt -101.23 9.08 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.695 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 44.3 m -97.98 -61.49 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.695 ' CE1' ' CG2' ' A' ' 73' ' ' THR . 3.2 m-85 -117.82 -37.97 3.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 71' ' ' TYR . 45.8 mt -57.89 -42.19 84.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.425 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 12.8 t -58.09 158.31 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.4 m -77.78 -44.83 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -72.37 2.42 6.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -54.69 121.34 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m -54.57 -26.14 30.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -136.46 102.16 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.46 ' OE1' ' CD ' ' A' ' 88' ' ' GLN . 9.1 tt0 -107.88 109.36 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.8 m -56.57 177.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.491 ' O ' HG13 ' A' ' 85' ' ' VAL . 4.9 t30 -113.48 138.4 50.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 84' ' ' ASN . 13.2 m -157.94 139.71 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -44.69 -33.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.11 71.43 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.46 ' CD ' ' OE1' ' A' ' 82' ' ' GLN . 12.3 tm0? -91.1 159.73 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.6 m 60.68 46.09 9.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -111.66 -29.51 7.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.868 HD22 HD12 ' A' ' 95' ' ' ILE . 52.5 mt -75.83 155.14 35.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.623 ' O ' HG22 ' A' ' 95' ' ' ILE . 56.9 m-20 -138.16 154.54 49.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -43.3 -23.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 92' ' ' ASN . 2.9 mppt? -63.6 -43.19 97.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.868 HD12 HD22 ' A' ' 91' ' ' LEU . 11.1 tt -45.71 -23.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 68' ' ' LYS . 47.9 mt -72.42 -37.28 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 96' ' ' LEU . 17.3 mt-10 -34.25 -49.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -121.41 102.02 43.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 123.81 10.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.369 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -151.39 150.06 25.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.547 0.689 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 9.9 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 2.1 mt -107.63 -13.52 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 8.2 ptm -60.92 -38.9 87.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 103' ' ' MET . 6.0 m-85 -102.87 -33.31 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 104' ' ' PHE . 32.5 tp60 -32.11 -53.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 -59.74 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.511 ' CD1' ' CD2' ' A' ' 75' ' ' LEU . 14.2 mt -57.3 -42.77 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.414 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 53.1 tt0 -46.94 -64.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -38.52 -55.61 1.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -48.82 -60.5 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.409 HG22 ' HE1' ' A' ' 115' ' ' MET . 28.8 mm -53.8 -42.72 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.648 ' CE1' HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -44.46 -61.56 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -66.07 -44.36 84.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 10.4 tp -38.38 -59.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' TYR . 30.9 mtm -68.37 -34.78 76.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -55.09 -29.47 57.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -114.68 -16.17 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 35.1 t0 -93.37 -61.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' TYR . 44.6 t -89.84 -67.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' SER . 50.7 t80 -33.69 -55.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.5 t -52.33 -62.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 123' ' ' PHE . 62.9 mtp85 -56.89 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' A' ' 122' ' ' ARG . 6.5 t80 -33.59 -59.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.0 mt -44.78 -63.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.766 ' O ' HD12 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -52.68 -43.11 65.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -55.21 143.1 28.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.7 p-10 -48.14 -39.49 20.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.541 HD21 ' CG ' ' A' ' 34' ' ' GLU . 15.6 tp -34.14 -46.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -93.77 -51.89 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 125' ' ' LYS . 12.6 mt -52.6 -59.79 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -47.07 -60.51 2.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -51.34 -43.9 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 84.3 tttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mptt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.4 m -90.54 -57.05 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.463 HG21 ' HA ' ' A' ' 133' ' ' LYS . 67.7 p -38.73 -52.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.48 -43.8 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -58.99 -51.63 69.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -59.39 -46.2 89.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.15 94.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.74 -57.91 7.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LEU . 4.7 t -155.72 134.57 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.61 HD23 ' CE1' ' A' ' 112' ' ' PHE . 46.6 tp -37.44 -53.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -36.0 -62.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 6.6 m-20 -39.15 -39.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 32' ' ' PHE . 5.3 tp -69.7 -38.02 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.515 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 50.2 mt -72.95 -45.9 55.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 2.9 pp20? -63.74 -40.08 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.2 t70 -77.28 141.2 66.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.0 Cg_endo -69.73 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.236 . . . . 0.0 112.391 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -51.36 -42.9 61.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.8 -59.67 8.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 25' ' ' ASP . 92.6 t -42.67 -45.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.09 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -53.43 -54.73 32.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -63.68 -47.81 79.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.455 ' HB2' HD21 ' A' ' 22' ' ' LEU . 2.9 t80 -50.42 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HB3' ' CD ' ' A' ' 42' ' ' GLU . 33.7 mtp180 -38.01 -57.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -44.75 -51.88 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -51.94 -53.31 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 41' ' ' SER . 83.6 mt -57.21 -48.04 79.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -42.99 -38.23 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -39.92 15.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' HG3' ' HB2' ' A' ' 41' ' ' SER . 4.9 pt-20 -111.18 9.33 21.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 62.88 44.16 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.476 ' OG ' ' ND2' ' A' ' 44' ' ' ASN . 6.7 t -117.96 17.94 14.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.838 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' CD ' ' HB3' ' A' ' 33' ' ' ARG . 38.3 tt0 -71.71 3.42 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' HA ' HD12 ' A' ' 46' ' ' LEU . 5.6 tp10 -82.05 -45.62 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.476 ' ND2' ' OG ' ' A' ' 41' ' ' SER . 13.4 p30 -46.18 -40.81 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.459 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 14.5 m -76.31 -30.99 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 43' ' ' GLU . 42.0 mt -65.8 -40.0 91.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -79.81 -40.43 28.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.515 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 79.3 t90 -56.64 -55.23 36.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.427 HD23 ' HZ3' ' A' ' 48' ' ' TRP . 7.2 mt -54.75 -53.43 55.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' ASP . . . -38.84 -53.22 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 69.5 m -39.49 -61.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 71.3 mm-40 -50.87 -33.04 22.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 56' ' ' LYS . 2.2 m-20 -73.87 -58.69 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.4 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 82.4 t80 -40.45 -33.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 14.6 ptpt -84.05 -31.04 25.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.8 ptpp? -66.06 -34.02 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.498 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 75.4 mtm -54.33 -42.25 69.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 52.92 37.29 24.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' MET . 1.2 m-20 -130.56 137.52 49.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -74.22 -54.93 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.8 m -55.16 -55.37 31.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -57.6 -46.62 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 78.7 mtp -59.73 -44.38 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -44.76 -40.93 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' LYS . 24.4 mt-10 -78.81 -69.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' GLU . 14.8 tptt -37.48 -42.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.62 -67.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HA ' HD22 ' A' ' 96' ' ' LEU . 7.5 ptmt -56.2 -32.21 64.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.56 -61.76 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -55.95 -43.42 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 5.2 t80 -63.17 -58.59 6.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.2 mtp -59.29 -12.7 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 58.5 m -84.16 -70.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -98.01 -68.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 104' ' ' PHE . 31.2 mt -33.9 -34.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' PHE . 2.6 t -58.31 137.92 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.3 t -71.16 -34.37 70.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -76.11 8.7 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 73' ' ' THR . . . -88.42 128.98 35.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.3 m -75.41 -37.25 60.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 m -84.69 18.03 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -52.03 117.49 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.0 m -57.76 143.12 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -73.41 109.51 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.446 HG21 ' CD ' ' A' ' 88' ' ' GLN . 21.5 m -144.36 126.9 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.68 133.25 55.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.04 -90.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.446 ' CD ' HG21 ' A' ' 85' ' ' VAL . 12.4 tt0 55.29 47.88 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.965 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.6 p -113.97 14.81 18.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -88.5 15.54 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 75' ' ' LEU . 2.1 pt? -137.64 157.85 45.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.742 ' O ' HG22 ' A' ' 95' ' ' ILE . 7.2 m120 -167.67 167.96 12.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 45.7 mt-10 -34.12 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 92' ' ' ASN . 17.1 mmtp -57.28 -48.01 79.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 92' ' ' ASN . 16.0 tt -42.86 -23.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 97' ' ' GLU . 40.8 mt -75.32 -38.78 60.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 96' ' ' LEU . 79.3 mt-10 -33.36 -64.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -112.16 102.0 53.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.609 0.719 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 139.16 39.51 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.734 2.289 . . . . 0.0 112.31 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -157.27 149.62 17.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.824 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 7.8 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.5 mt -112.49 17.92 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.584 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 9.2 ptm -90.92 -43.16 10.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.584 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.5 m-85 -110.89 17.02 20.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.0 -59.16 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -59.15 -53.78 54.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 104' ' ' PHE . 24.4 mt -44.75 -37.91 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.502 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 52.8 tt0 -61.23 -35.22 76.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -65.85 -68.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -43.4 -49.86 6.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 107' ' ' LEU . 37.5 mm -59.62 -42.76 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.61 ' CE1' HD23 ' A' ' 19' ' ' LEU . 1.7 t80 -49.85 -53.58 24.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.67 -45.46 92.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.2 tp -42.41 -57.8 2.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 17.5 mtm -73.14 -33.72 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HE3' ' CE1' ' A' ' 112' ' ' PHE . 28.6 ttmt -55.87 -25.04 40.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -117.95 -26.13 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 25.4 t70 -77.01 -64.32 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 120' ' ' TYR . 11.3 p -94.11 -66.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.526 ' HB2' HD13 ' A' ' 19' ' ' LEU . 42.9 t80 -32.02 -67.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 120' ' ' TYR . 19.7 t -35.57 -61.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 123' ' ' PHE . 24.6 mmm180 -59.49 -54.62 44.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 129' ' ' PHE . 52.2 t80 -32.11 -63.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.9 mt -38.86 -48.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -72.02 -42.06 66.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.7 t -54.91 148.97 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 128' ' ' LEU . 2.1 p-10 -58.74 -43.23 90.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.3 tp -32.14 -44.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.568 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . 31.0 t80 -83.5 -62.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 131' ' ' LYS . 91.1 mt -45.67 -60.56 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' LEU . 32.2 tptt -33.82 -54.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -48.04 -52.98 17.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.463 ' HA ' HG21 ' A' ' 12' ' ' THR . 35.6 mtpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.771 0.32 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 14' ' ' LYS . 4.3 m -71.84 -45.95 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.466 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 17.9 p -37.81 -46.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.4 -43.02 61.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' SER . 1.1 mptp? -61.71 -45.25 94.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.498 ' HB3' HD13 ' A' ' 22' ' ' LEU . 8.5 m0 -66.4 -42.77 87.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.35 97.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.17 -54.11 28.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.8 m -161.55 156.18 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.9 -44.3 97.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -43.73 -41.82 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 72.3 m-20 -67.44 -34.71 77.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 15' ' ' TRP . 5.5 tp -74.55 -38.44 62.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 mt -75.04 -43.14 55.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -63.72 -43.0 97.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 29' ' ' VAL . 54.2 m-20 -74.76 148.71 85.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.709 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -50.66 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.27 -46.65 76.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.49 -53.74 39.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 25' ' ' ASP . 92.4 t -55.47 -44.39 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 111.125 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -54.08 -56.85 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -61.54 -53.73 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.418 ' HB2' HD21 ' A' ' 22' ' ' LEU . 4.7 t80 -46.89 -52.57 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.426 HH12 HD21 ' A' ' 46' ' ' LEU . 36.4 mtp85 -52.34 -53.15 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -47.15 -50.81 19.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.54 -52.92 62.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 37' ' ' LYS . 61.9 mt -54.34 -52.75 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 36' ' ' LEU . 8.7 ttpt -34.75 -45.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -42.71 -59.64 1.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -91.21 12.87 18.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 59.98 47.37 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.423 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.6 p -112.65 17.85 18.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 45' ' ' VAL . 21.2 tt0 -64.2 -53.86 42.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.691 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.1 pm0 -40.53 -32.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.461 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 15.0 m-20 -47.73 -59.03 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 42' ' ' GLU . 18.3 m -67.91 -37.68 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 43' ' ' GLU . 64.8 mt -51.17 -46.07 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.413 ' CD1' ' CD2' ' A' ' 74' ' ' PHE . 34.8 t80 -70.53 -43.97 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.542 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 80.6 t90 -57.75 -59.37 5.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 ' CZ3' ' A' ' 48' ' ' TRP . 11.1 mt -48.08 -55.18 10.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . -42.84 -56.14 3.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 50' ' ' ALA . 95.0 m -36.9 -43.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.36 -49.5 22.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -51.32 -41.87 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.19 -61.32 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -56.8 -31.95 65.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 17.6 mmtt -60.2 -41.91 93.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.4 mtm -58.69 136.87 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -97.13 -44.93 6.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.84 116.72 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -60.65 -50.11 74.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.7 m -44.26 -54.81 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -57.83 -41.63 82.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.5 mtp -59.29 -47.3 85.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 28.0 mt-30 -44.36 -50.37 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -66.6 -68.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -41.94 -30.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -51.72 -68.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.771 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -65.55 -34.81 79.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -47.42 -60.93 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.97 -47.54 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.627 ' HA ' HD12 ' A' ' 75' ' ' LEU . 3.0 t80 -51.3 -52.4 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.9 mtp -66.49 -3.82 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.526 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 4.1 m -84.48 -65.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 47' ' ' PHE . 1.9 m-85 -114.16 -26.04 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 91' ' ' LEU . 17.6 mt -81.47 16.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 77' ' ' SER . 1.7 t -106.63 172.05 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.401 ' N ' ' OG ' ' A' ' 76' ' ' SER . 43.6 t -84.5 -45.58 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -83.31 17.16 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -79.08 113.71 17.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.6 t -77.9 -31.62 51.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.7 p -80.43 13.52 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -51.94 116.2 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.54 170.36 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.465 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 23.3 t30 -88.69 129.83 35.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 84' ' ' ASN . 29.9 m -159.49 177.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.01 -54.68 23.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.45 72.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HB3' HG21 ' A' ' 85' ' ' VAL . 3.2 pp0? -54.96 -33.9 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' LEU . 1.6 t -40.25 -30.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -39.66 -28.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 75' ' ' LEU . 31.4 mt -73.59 176.09 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.765 ' O ' HG22 ' A' ' 95' ' ' ILE . 11.7 t-20 -162.15 153.45 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -47.29 -27.62 1.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -59.84 -43.88 94.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.765 HG22 ' O ' ' A' ' 92' ' ' ASN . 10.4 tt -44.81 -24.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.771 HD13 ' CB ' ' A' ' 68' ' ' LYS . 27.0 mt -72.01 -38.24 69.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 96' ' ' LEU . 5.4 mm-40 -36.79 -57.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 9.5 mm-40 -111.01 101.92 51.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.5 Cg_endo -69.73 129.13 17.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -155.2 149.7 19.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.445 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.4 Cg_endo -69.78 0.7 5.28 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.4 mt -102.66 17.95 22.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.573 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 10.2 ptm -92.1 -47.44 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.5 m-85 -104.76 12.22 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 106' ' ' LYS . 20.2 tm0? -68.98 -68.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.431 ' N ' ' OE1' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -48.55 -50.14 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.796 HD11 HD11 ' A' ' 91' ' ' LEU . 9.8 mt -53.65 -33.79 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.542 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 13.9 tt0 -72.64 -28.63 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.19 -50.18 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.402 ' NE2' HD23 ' A' ' 107' ' ' LEU . 19.1 pt20 -66.92 -45.05 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.434 HD11 ' CG1' ' A' ' 85' ' ' VAL . 41.9 mm -61.52 -31.35 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -56.84 -62.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 8.5 p30 -62.81 -41.41 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.485 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 16.8 tp -40.46 -43.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.451 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 29.6 mtm -89.12 -56.77 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -44.55 -26.51 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 3.2 m-85 -75.33 -67.92 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 119' ' ' SER . 5.9 t0 -91.75 -67.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 118' ' ' ASP . 23.0 m -33.33 -68.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.65 ' CZ ' HD11 ' A' ' 124' ' ' LEU . 65.4 t80 -49.64 -49.15 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -55.8 -35.28 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.803 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -77.16 -40.65 44.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -50.67 -58.44 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.65 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 19.7 mt -55.98 -66.45 0.43 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -43.56 -43.97 5.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.2 m -53.62 166.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.9 p30 -70.29 -44.28 68.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.1 tp -34.18 -42.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -83.45 -61.17 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LYS . 76.0 mt -48.39 -59.55 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.9 OUTLIER -33.89 -56.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -68.1 -50.6 53.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 23.4 tttt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.8 mttm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m -79.83 -56.43 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 p -40.18 -41.35 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.93 63.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.067 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -55.87 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.416 ' HB3' HD13 ' A' ' 22' ' ' LEU . 10.2 m0 -56.15 -43.51 78.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.83 94.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.87 67.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 t -159.05 151.79 21.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 22' ' ' LEU . 50.1 tp -60.74 -49.44 77.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -40.13 -53.7 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -51.04 -35.96 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD12 ' HA3' ' A' ' 28' ' ' GLY . 6.2 tp -72.64 -49.01 34.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.56 -45.02 93.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 12.7 pt-20 -62.46 -44.98 95.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.48 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.0 t70 -70.81 140.18 86.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.77 -40.34 5.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -60.77 -44.19 97.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.462 ' HA3' HD12 ' A' ' 22' ' ' LEU . . . -60.07 -57.91 16.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -45.44 -46.48 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -54.62 -47.16 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.6 mmt-85 -68.6 -52.77 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -50.35 -57.28 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -42.85 -61.01 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -44.14 -57.51 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -48.78 -56.98 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' LYS . 37.7 mt -49.05 -51.98 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -36.04 -48.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -45.34 -58.77 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -87.63 15.36 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 52.1 47.98 23.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -115.67 18.05 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 45' ' ' VAL . 32.2 tt0 -65.64 -54.76 23.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -39.12 -35.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -47.34 -66.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 42' ' ' GLU . 16.0 m -60.93 -40.97 87.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 43' ' ' GLU . 20.0 mt -47.84 -36.76 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -81.82 -44.55 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -55.17 -52.86 61.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.6 mt -49.87 -48.51 51.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.51 -43.04 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.1 m -55.48 -60.15 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -53.62 48.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.59 -37.57 73.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.24 -58.32 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 10.5 ptpt -56.44 -33.93 66.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 17.4 mmtt -57.58 -41.17 80.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 mtm -61.23 134.04 56.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -96.07 -46.83 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -53.4 135.25 39.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -70.6 -58.85 3.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.3 m -38.26 -58.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -52.43 -40.16 61.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.416 ' HB3' ' HE2' ' A' ' 63' ' ' MET . 51.9 mtp -67.84 -40.87 83.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -49.03 -47.31 44.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -67.3 -59.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG3' HD11 ' A' ' 70' ' ' ILE . 14.0 tptp -46.65 -41.58 14.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.65 -69.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.543 ' HA ' HD22 ' A' ' 96' ' ' LEU . 6.9 ptmt -66.75 -38.94 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -46.32 -55.65 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.401 HD11 ' HG3' ' A' ' 66' ' ' LYS . 43.5 mt -65.14 -46.28 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.1 t80 -52.04 -47.48 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.5 mmm -72.41 -0.96 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.3 m -86.64 -60.43 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -117.97 -30.25 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 91' ' ' LEU . 33.2 mt -79.1 17.61 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -103.45 163.96 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.5 p -75.33 -41.84 55.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -91.35 17.91 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.83 105.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 t -51.15 -31.01 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -126.64 102.12 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -107.78 129.23 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.86 176.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 0.5 OUTLIER -101.59 123.19 45.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.849 HG11 HD22 ' A' ' 107' ' ' LEU . 17.6 m -151.85 150.09 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -115.51 114.09 24.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.63 43.22 6.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.566 ' HG3' HD21 ' A' ' 107' ' ' LEU . 3.1 tt0 -110.11 -37.45 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.4 p -40.12 -30.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.73 -33.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 75' ' ' LEU . 1.4 pt? -64.9 165.89 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.653 ' O ' HG22 ' A' ' 95' ' ' ILE . 17.7 m120 -163.39 160.53 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.4 mt-10 -35.79 -31.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -57.94 -45.65 86.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 92' ' ' ASN . 11.8 tt -42.85 -23.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.543 HD22 ' HA ' ' A' ' 68' ' ' LYS . 26.4 mt -75.17 -38.15 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 96' ' ' LEU . 39.2 mt-10 -32.09 -63.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 27.5 mt-10 -111.1 102.04 51.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.74 130.58 19.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.478 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.58 147.65 18.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.903 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 53.8 Cg_endo -69.76 18.78 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.2 mt -114.82 -18.73 11.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.586 ' HB2' HD11 ' A' ' 95' ' ' ILE . 9.4 ptm -58.3 -46.25 86.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 105' ' ' GLN . 13.2 m-85 -94.16 -36.47 12.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.5 tp-100 -32.02 -50.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -49.01 -50.83 34.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.849 HD22 HG11 ' A' ' 85' ' ' VAL . 30.4 mt -67.42 -40.23 85.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -47.98 -30.38 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -71.46 -64.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.425 ' HA ' ' ND2' ' A' ' 113' ' ' ASN . 7.4 pt20 -53.91 -41.77 68.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.5 mm -65.1 -43.15 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -53.33 -54.8 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 1.9 p30 -66.52 -43.01 86.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 tp -40.93 -47.16 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 39.5 mtm -85.47 -54.92 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -46.17 -24.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 3.6 m-85 -77.99 -63.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 119' ' ' SER . 0.3 OUTLIER -96.49 -68.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -32.17 -69.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -43.42 -64.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.0 m -45.0 -41.91 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.417 ' HD3' ' CE ' ' A' ' 125' ' ' LYS . 53.4 mmt-85 -68.32 -40.55 81.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -48.94 -53.89 17.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 63.9 mt -57.99 -46.64 84.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.417 ' CE ' ' HD3' ' A' ' 122' ' ' ARG . 49.1 mtmt -58.71 -43.12 90.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.3 p -54.45 163.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' LEU . 8.8 p-10 -76.62 -42.76 41.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.1 mt -35.2 -44.06 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -80.97 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 131' ' ' LYS . 37.6 mt -38.73 -51.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 130' ' ' LEU . 22.8 tttm -33.78 -58.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -59.78 -48.53 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 42.3 tttt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.735 0.302 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.4 m -78.79 -55.91 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.554 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 44.4 p -44.45 -49.13 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.01 -46.45 16.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -58.16 -50.39 73.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 7.3 m0 -59.94 -48.91 79.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.41 87.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.99 -58.71 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -153.3 132.9 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 112' ' ' PHE . 42.6 tp -38.56 -51.74 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 24.4 mt-10 -38.97 -62.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -39.03 -43.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.5 tp -66.89 -44.45 80.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.444 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 64.1 mt -64.36 -36.71 85.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 1.6 mm-40 -74.99 -55.02 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . 7.2 m-20 -53.41 141.16 43.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.594 0.711 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -38.85 7.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.6 2.2 . . . . 0.0 112.377 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.18 -41.53 73.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA3' HD12 ' A' ' 22' ' ' LEU . . . -61.05 -43.82 98.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ASP . 92.4 t -64.65 -43.74 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -60.09 -45.25 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.6 mmt-85 -68.56 -46.44 69.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.65 ' HD2' HG11 ' A' ' 45' ' ' VAL . 3.5 t80 -48.89 -50.91 32.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HA ' HD12 ' A' ' 36' ' ' LEU . 15.6 mtp180 -55.24 -46.56 76.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.01 -52.41 25.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -62.45 -42.75 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 33' ' ' ARG . 76.9 mt -58.77 -59.9 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' LEU . 9.1 tmtt? -37.0 -45.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -43.78 -56.37 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.82 15.8 19.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 55.47 40.71 31.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -106.2 17.08 24.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ASN . 45.1 tt0 -57.6 -58.14 9.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.813 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.7 pt-20 -34.42 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLU . 34.8 m-20 -43.85 -66.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.65 HG11 ' HD2' ' A' ' 32' ' ' PHE . 33.8 m -66.65 -36.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 43' ' ' GLU . 82.7 mt -47.87 -39.93 20.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 16.8 t80 -74.96 -43.74 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.539 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 83.9 t90 -60.78 -57.76 11.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.73 -45.96 58.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.0 -46.76 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.0 m -46.84 -45.02 19.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 16.6 mm-40 -67.16 -34.3 77.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.4 m-20 -71.68 -58.8 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.546 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 26.8 t80 -40.15 -34.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 15.2 ptpt -85.63 -30.67 23.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -64.74 -35.83 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.493 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 38.0 mtm -63.06 143.41 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -97.24 -43.48 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -53.94 142.79 23.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -87.93 -39.42 14.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' GLN . 22.0 m -57.84 -65.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -40.42 -39.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.546 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 4.1 mtp -59.93 -43.22 95.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' THR . 55.1 mt-30 -44.28 -42.41 6.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -75.17 -69.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HG3' HD11 ' A' ' 70' ' ' ILE . 18.8 tptt -38.55 -42.88 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.34 -69.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HA ' HD22 ' A' ' 96' ' ' LEU . 7.6 ptmt -62.16 -34.38 76.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.41 -38.33 77.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.467 HD11 ' HG3' ' A' ' 66' ' ' LYS . 64.8 mt -81.32 -16.35 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -95.07 -25.7 16.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.423 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 13.0 mtp -91.54 9.34 32.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.584 HG23 ' CG ' ' A' ' 74' ' ' PHE . 7.4 t -117.86 -39.57 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.584 ' CG ' HG23 ' A' ' 73' ' ' THR . 1.9 m-85 -117.96 -37.44 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.763 HD13 ' CD1' ' A' ' 91' ' ' LEU . 19.4 mt -88.51 17.81 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 1.5 t -115.0 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.1 p -64.84 155.04 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt 56.24 36.45 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB3' ' HB2' ' A' ' 82' ' ' GLN . . . -90.33 175.11 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.1 m -101.94 -37.69 8.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.492 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.8 m -99.34 17.79 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.443 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 48.6 tt0 -52.22 106.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -60.71 177.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -102.53 108.46 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.35 134.56 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.41 -66.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.17 -88.97 2.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.715 ' HG3' HD22 ' A' ' 107' ' ' LEU . 34.4 tt0 53.36 43.18 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.3 m -117.88 -22.92 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -42.2 -31.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.763 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.4 pt? -78.08 165.99 23.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.725 ' O ' HG22 ' A' ' 95' ' ' ILE . 2.3 t-20 -164.5 165.34 21.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.5 mt-10 -33.16 -35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' ASN . 37.0 mtmt -54.63 -49.94 69.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 92' ' ' ASN . 14.9 tt -43.64 -23.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 68' ' ' LYS . 39.2 mt -76.51 -37.8 56.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 96' ' ' LEU . 26.6 mt-10 -34.32 -63.33 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.0 OUTLIER -106.44 102.11 39.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.78 130.52 19.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.4 147.18 15.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.862 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 16.27 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 13.3 mt -108.33 -17.43 14.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.551 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 8.6 ptm -65.32 -44.32 88.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.3 m-85 -100.15 17.84 20.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.448 ' C ' ' OE1' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -73.65 -54.26 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt -67.1 -46.38 74.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.715 HD22 ' HG3' ' A' ' 88' ' ' GLN . 30.9 mt -47.58 -38.33 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.539 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 18.9 tt0 -60.47 -34.63 74.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.33 -64.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -49.17 -49.38 42.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.9 mm -63.73 -42.45 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.526 ' CE1' HD23 ' A' ' 19' ' ' LEU . 59.0 t80 -46.12 -49.72 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 114' ' ' LEU . 2.4 p-10 -74.28 -45.24 48.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 113' ' ' ASN . 12.1 tp -33.79 -66.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 30.9 mtm -65.46 -37.54 87.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -44.2 -28.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -117.74 -29.7 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -75.62 -61.06 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 120' ' ' TYR . 41.8 t -93.98 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.455 ' C ' ' O ' ' A' ' 119' ' ' SER . 64.2 t80 -33.11 -57.59 0.39 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.5 t -50.6 -53.95 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 124' ' ' LEU . 22.5 mmt85 -61.31 -60.51 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 122' ' ' ARG . 36.7 t80 -34.28 -34.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ARG . 90.5 mt -70.15 -51.64 29.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 122' ' ' ARG . 45.1 pttt -65.69 -37.42 86.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 125' ' ' LYS . 18.6 p -54.8 153.17 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -68.03 -41.72 81.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.0 tt -34.12 -46.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -81.63 -54.6 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 45.4 mt -49.14 -62.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 45.5 mmtt -34.14 -57.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 132' ' ' HIS . 3.0 t60 -57.51 -60.87 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 54.9 tttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.321 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 m -47.35 -48.68 25.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.9 p -50.31 -47.48 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.38 -41.44 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -64.48 -45.52 86.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 22.1 m0 -64.9 -40.75 95.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.0 84.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.79 -45.92 78.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -168.17 162.83 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' LEU . 43.7 tp -65.14 -44.66 87.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -41.76 -43.26 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -62.9 -36.67 84.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.558 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 4.9 tp -73.69 -48.23 33.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD11 HD21 ' A' ' 19' ' ' LEU . 84.1 mt -63.24 -46.82 85.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 16.9 pt-20 -58.88 -43.19 90.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 2.0 m-20 -73.62 142.76 81.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -42.83 3.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.6 -41.57 97.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.62 -56.47 24.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -46.76 -48.14 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -55.03 -43.26 73.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -69.99 -53.7 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -43.5 -55.25 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' GLU . 47.7 mtp180 -48.4 -62.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.69 ' HB2' HD21 ' A' ' 128' ' ' LEU . 21.0 mt-10 -35.17 -49.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.22 -60.16 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.415 HD21 ' OG ' ' A' ' 119' ' ' SER . 54.6 mt -45.6 -50.28 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -41.17 -37.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -42.57 -60.84 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 9.2 pt-20 -92.66 17.98 9.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 58.71 46.13 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.423 ' OG ' ' CG ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -111.07 17.94 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.756 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 45' ' ' VAL . 61.8 tt0 -62.76 -35.02 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.71 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.2 pm0 -55.41 -38.63 69.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -42.95 -58.3 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.4 m -65.63 -40.23 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 43' ' ' GLU . 79.3 mt -47.16 -37.83 10.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -81.09 -41.43 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -58.15 -32.36 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mt -82.19 -39.29 23.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.07 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.0 p -55.16 -40.93 71.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.43 -57.52 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -50.55 -35.64 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 81.6 t80 -62.0 -57.06 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -26.4 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -65.83 -48.13 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.41 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 5.0 ptp -64.78 135.6 55.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -93.15 -36.57 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -52.1 121.47 6.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -68.2 -55.96 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' LYS . 43.2 m -36.62 -54.46 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -62.78 -38.85 92.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.443 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 40.2 mtp -61.09 -47.71 85.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -49.69 -40.49 40.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -73.32 -67.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -45.92 -35.57 4.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.17 -69.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HA ' HD22 ' A' ' 96' ' ' LEU . 23.0 pttt -62.78 -38.11 89.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -47.2 -60.77 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.408 ' O ' ' HB ' ' A' ' 73' ' ' THR . 20.0 mt -57.09 -41.58 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 75' ' ' LEU . 1.9 t80 -59.08 -47.2 86.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.464 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 94.9 mmm -66.04 -5.01 8.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 70' ' ' ILE . 27.4 m -87.12 -68.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 76' ' ' SER . 3.5 m-85 -106.44 -34.5 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 104' ' ' PHE . 18.9 mt -73.97 17.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.464 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -125.16 165.35 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.5 p -81.45 155.51 25.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 mptt 62.3 36.78 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.77 108.89 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.1 t -63.27 -43.95 96.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.6 m -80.5 13.6 2.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -52.85 125.33 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.04 168.62 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -98.74 105.82 18.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.639 ' CG1' HD11 ' A' ' 111' ' ' ILE . 34.3 m -140.21 170.38 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -127.52 110.55 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.94 45.57 2.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.488 ' HG2' ' CG2' ' A' ' 85' ' ' VAL . 5.0 pp0? -112.23 -30.82 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.944 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.7 p -52.48 -30.74 31.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -50.5 -27.58 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.57 HD11 HD11 ' A' ' 107' ' ' LEU . 87.0 mt -61.21 156.74 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.705 ' O ' HG22 ' A' ' 95' ' ' ILE . 11.6 m120 -151.9 154.72 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -43.05 -30.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -52.2 -44.01 64.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 92' ' ' ASN . 11.6 tt -47.18 -24.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 68' ' ' LYS . 33.6 mt -74.29 -34.41 63.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.1 mt-10 -34.66 -61.97 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -116.3 102.06 53.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.2 22.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.328 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.19 152.69 28.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.533 0.683 . . . . 0.0 110.881 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 6.22 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 7.1 mt -111.64 17.97 19.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.588 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 9.4 ptm -91.35 -44.34 9.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.564 ' CE1' HD11 ' A' ' 75' ' ' LEU . 4.1 m-85 -111.12 17.95 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.89 -52.11 22.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -58.44 -55.74 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.624 HD23 ' NE2' ' A' ' 110' ' ' GLN . 11.7 mt -47.67 -40.07 18.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.52 -30.76 65.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.91 -65.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.624 ' NE2' HD23 ' A' ' 107' ' ' LEU . 25.5 pt20 -55.65 -43.54 76.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.639 HD11 ' CG1' ' A' ' 85' ' ' VAL . 33.5 mm -63.56 -38.21 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.7 -61.68 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -62.92 -40.74 98.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.3 tp -41.09 -55.47 2.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.421 ' HE2' ' O ' ' A' ' 111' ' ' ILE . 39.7 mtm -77.84 -48.26 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.43 ' HG3' ' CB ' ' A' ' 19' ' ' LEU . 28.0 ttpt -44.71 -21.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' MET . 59.7 m-85 -115.65 -35.62 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.78 -70.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 122' ' ' ARG . 48.9 m -66.62 -67.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 119' ' ' SER . 88.4 t80 -32.44 -63.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.7 p -42.52 -41.76 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 119' ' ' SER . 32.6 mtp85 -74.72 -50.87 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.52 ' HE1' HD23 ' A' ' 128' ' ' LEU . 35.5 t80 -38.38 -59.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 129' ' ' PHE . 80.1 mt -52.53 -40.34 62.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.64 -45.76 85.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.5 p -60.33 160.97 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.1 p30 -70.63 -38.64 73.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 34' ' ' GLU . 11.8 tp -32.76 -41.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 133' ' ' LYS . 35.4 t80 -88.82 -62.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 75.2 mt -43.73 -56.29 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -38.99 -52.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -52.77 -53.22 51.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 20.6 mtpt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -83.43 -45.73 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -54.36 -54.27 42.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.71 -46.82 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -58.58 -53.62 56.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.41 ' CD1' ' OD2' ' A' ' 25' ' ' ASP . 7.7 m0 -57.84 -42.86 85.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.56 90.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.44 -61.97 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.4 p -154.81 140.49 18.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.523 HD12 HD23 ' A' ' 22' ' ' LEU . 63.3 tp -44.03 -44.76 7.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -40.15 -59.13 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 18.0 m-20 -47.46 -55.51 8.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.619 HD21 ' CG ' ' A' ' 32' ' ' PHE . 2.2 tp -52.71 -27.2 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD13 ' CH2' ' A' ' 48' ' ' TRP . 80.3 mt -83.78 -44.08 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 2.6 pt-20 -61.36 -34.78 75.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD2' ' CD1' ' A' ' 15' ' ' TRP . 1.8 p30 -87.25 127.72 58.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.14 28.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' CD ' ' HB2' ' A' ' 25' ' ' ASP . 22.7 pm0 -78.22 -25.73 47.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -80.69 -43.99 8.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -52.85 -49.56 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -44.21 -53.43 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -61.64 -44.93 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.619 ' CG ' HD21 ' A' ' 22' ' ' LEU . 8.2 t80 -54.18 -55.08 31.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -50.61 -58.43 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -38.37 -47.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.23 -54.85 42.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.428 HD21 ' HB2' ' A' ' 119' ' ' SER . 52.0 mt -52.11 -49.56 63.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -39.79 -39.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -40.49 -49.79 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 6.3 pt-20 -107.45 10.82 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 62.1 47.3 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.43 ' OG ' ' CG ' ' A' ' 39' ' ' GLU . 1.1 p -112.09 13.6 20.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ASN . 37.1 tt0 -59.04 -44.54 91.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.655 ' HA ' HD12 ' A' ' 46' ' ' LEU . 25.3 pm0 -38.65 -27.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLU . 97.6 m-20 -56.97 -57.99 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 42' ' ' GLU . 15.9 m -69.84 -28.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 43' ' ' GLU . 60.8 mt -60.09 -41.22 92.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.524 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 7.5 t80 -75.67 -39.17 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CH2' HD13 ' A' ' 23' ' ' LEU . 90.9 t90 -57.06 -58.43 8.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD23 ' CZ3' ' A' ' 48' ' ' TRP . 9.8 mt -50.02 -47.98 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.25 -56.45 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 61.8 m -41.25 -61.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 24.2 mm-40 -53.94 -62.23 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -42.04 -40.07 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 21.7 t80 -56.0 -58.46 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -58.92 -18.15 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' MET . 48.9 mtpt -83.57 -34.22 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.491 ' HE2' ' HG2' ' A' ' 66' ' ' LYS . 6.0 mmt -36.94 -45.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 57.96 41.83 23.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' MET . 11.2 m-20 -153.36 150.8 29.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -85.02 -62.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.5 m -48.06 -60.69 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -49.61 -44.47 47.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.487 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 6.3 mtt -61.07 -54.67 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' MET . 53.3 mt-30 -35.37 -35.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' MET . 20.4 mt-10 -80.52 -68.67 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.491 ' HG2' ' HE2' ' A' ' 57' ' ' MET . 30.2 tptt -40.61 -42.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.71 -68.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.502 ' HA ' HD22 ' A' ' 96' ' ' LEU . 9.5 ptmt -62.4 -37.24 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -49.51 -62.09 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.74 -36.72 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.75 ' HA ' HD12 ' A' ' 75' ' ' LEU . 4.1 t80 -66.59 -24.16 66.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.4 mmm -97.01 8.04 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.476 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 95.4 m -97.91 -59.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 47' ' ' PHE . 1.1 m-85 -117.99 -38.56 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 71' ' ' TYR . 33.5 mt -61.27 -39.29 89.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -52.06 163.93 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 m -78.72 -44.23 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -79.36 16.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.98 110.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.4 m -54.72 -29.94 54.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -131.3 102.01 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -101.13 131.45 47.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.8 m -72.68 167.73 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -99.76 117.32 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.851 HG21 ' HB3' ' A' ' 88' ' ' GLN . 19.6 m -140.88 176.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -89.41 -49.1 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.19 80.55 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.851 ' HB3' HG21 ' A' ' 85' ' ' VAL . 9.3 pt20 -96.42 -39.37 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 88' ' ' GLN . 3.1 t -38.25 -26.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 88' ' ' GLN . 6.9 tpp180 -36.76 -32.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 89' ' ' SER . 3.5 pp -68.96 176.23 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.845 ' O ' HG22 ' A' ' 95' ' ' ILE . 6.8 t30 -168.08 158.59 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -40.48 -45.85 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 97' ' ' GLU . 2.9 ttpm? -48.25 -40.11 23.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.845 HG22 ' O ' ' A' ' 92' ' ' ASN . 9.0 tt -45.04 -24.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.502 HD22 ' HA ' ' A' ' 68' ' ' LYS . 59.5 mt -74.76 -36.05 62.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 96' ' ' LEU . 23.0 mt-10 -32.19 -68.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 2.4 tp10 -105.66 101.98 35.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.4 Cg_endo -69.72 127.82 15.17 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -150.54 147.52 21.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 53.5 Cg_endo -69.77 18.74 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.262 . . . . 0.0 112.389 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 100' ' ' HIS . 7.3 mt -117.62 -17.25 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.562 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 6.8 ptm -53.87 -38.71 65.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 75' ' ' LEU . 12.0 m-85 -106.13 -31.96 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 104' ' ' PHE . 22.2 tm0? -32.15 -42.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -67.44 -55.04 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 104' ' ' PHE . 9.7 mt -56.34 -46.25 80.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -50.99 -34.25 28.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -53.47 -62.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 22.1 pt20 -59.02 -42.51 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.479 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 42.7 mm -58.1 -39.14 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -55.21 -63.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 110' ' ' GLN . 7.3 p30 -60.39 -41.48 93.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 12.9 tp -39.43 -59.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 120' ' ' TYR . 43.8 mtm -70.34 -32.99 70.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -53.73 -29.71 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -116.18 -20.49 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 21.8 t70 -85.6 -65.24 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 120' ' ' TYR . 12.6 t -90.3 -65.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 119' ' ' SER . 28.8 t80 -33.08 -66.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 m -40.65 -48.03 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' A' ' 123' ' ' PHE . 81.6 mmt-85 -68.38 -62.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 122' ' ' ARG . 52.0 t80 -32.25 -41.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 122' ' ' ARG . 91.6 mt -62.21 -55.13 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 122' ' ' ARG . 41.1 pttt -62.58 -33.92 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 125' ' ' LYS . 15.0 m -55.99 171.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 128' ' ' LEU . 6.5 p-10 -87.96 -45.79 9.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 128' ' ' LEU . 3.0 tt -33.77 -39.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' LEU . 12.2 t80 -83.13 -66.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' PHE . 60.4 mt -36.65 -44.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -41.37 -54.72 2.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -49.64 -47.09 50.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 mttm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.747 0.308 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 m -68.07 -54.47 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.43 HG21 ' HA ' ' A' ' 133' ' ' LYS . 34.3 p -40.34 -38.32 0.79 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.53 76.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -56.56 -41.91 77.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -64.34 -46.2 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.91 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.13 -62.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 m -147.12 152.37 38.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 tp -62.17 -42.77 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -47.58 -47.3 28.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -56.61 -31.84 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 32' ' ' PHE . 5.0 tp -75.15 -52.93 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.67 -43.65 93.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -62.82 -38.28 90.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.63 142.2 61.34 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -56.44 -37.08 69.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.58 -60.34 6.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -40.83 -43.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -61.27 -42.8 99.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -70.71 -44.65 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CZ ' ' OG ' ' A' ' 119' ' ' SER . 2.1 t80 -57.75 -51.78 68.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.474 HH21 HD13 ' A' ' 49' ' ' LEU . 85.0 mtt180 -48.8 -54.19 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -45.6 -60.54 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -44.45 -49.47 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 33' ' ' ARG . 14.3 mt -59.51 -56.03 27.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' LEU . 3.6 tmtt? -35.41 -43.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -45.22 -58.22 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -90.21 16.38 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 56.24 40.79 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.427 ' HB3' ' ND2' ' A' ' 44' ' ' ASN . 23.8 m -110.45 17.86 20.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 44' ' ' ASN . 48.4 tt0 -59.21 -50.95 72.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.88 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.6 pm0 -43.27 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 41' ' ' SER . 20.0 m-20 -52.6 -65.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.85 -35.67 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 43' ' ' GLU . 80.8 mt -49.95 -34.12 19.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 13.9 t80 -79.91 -45.47 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -59.38 -51.32 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.474 HD13 HH21 ' A' ' 33' ' ' ARG . 22.7 mt -51.2 -54.1 28.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.61 -53.96 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 m -45.25 -56.25 5.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.15 -30.02 58.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 13.9 m-20 -77.72 -41.72 36.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -61.06 -21.76 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.1 ptpt -97.85 -32.99 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 57' ' ' MET . 9.2 ptpt -59.11 -35.4 73.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.47 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 29.4 mtm -64.05 159.1 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -115.65 -36.88 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.28 125.04 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -71.22 -42.66 68.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.1 m -57.83 -57.43 12.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -48.34 -30.44 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtp -73.22 -45.51 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -42.08 -33.15 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.91 -65.64 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -41.91 -32.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.52 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.506 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -67.27 -29.28 68.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 15.7 mt-10 -51.93 -62.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.1 mt -62.05 -37.74 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.853 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.5 t80 -60.21 -34.28 73.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.407 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 98.1 mmm -87.42 11.73 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.423 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 20.6 m -98.0 -68.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.443 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 1.9 m-85 -105.62 -45.12 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.068 HD13 HD11 ' A' ' 91' ' ' LEU . 22.0 mt -56.18 -35.67 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -57.62 168.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -87.19 -40.39 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -82.14 17.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 73' ' ' THR . . . -56.85 107.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.2 p -52.36 -28.98 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.409 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -135.08 101.94 5.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -99.7 143.64 29.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.6 m -81.21 165.19 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -83.98 103.4 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.816 HG21 ' HB3' ' A' ' 88' ' ' GLN . 2.8 m -144.59 175.29 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -92.53 -37.42 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.78 70.46 0.17 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.816 ' HB3' HG21 ' A' ' 85' ' ' VAL . 4.5 pm0 -79.41 -7.99 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.9 m -82.94 -0.16 47.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -42.15 -38.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.068 HD11 HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -77.95 163.31 26.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.992 ' O ' HG22 ' A' ' 95' ' ' ILE . 5.3 t30 -133.66 166.63 22.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -44.87 -36.9 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -50.88 -37.94 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.992 HG22 ' O ' ' A' ' 92' ' ' ASN . 5.1 tt -52.49 -26.95 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.506 HD13 ' CB ' ' A' ' 68' ' ' LYS . 80.9 mt -68.49 -26.31 65.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -42.49 -56.55 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -111.24 103.5 55.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.678 0.752 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 124.44 11.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.38 145.69 17.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 14.62 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.724 2.282 . . . . 0.0 112.322 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.439 ' H ' ' C ' ' A' ' 100' ' ' HIS . 7.6 mt -107.8 -20.48 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.527 ' HB2' HD11 ' A' ' 95' ' ' ILE . 5.6 ptm -54.65 -44.87 73.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 105' ' ' GLN . 8.5 m-85 -93.33 -35.7 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 104' ' ' PHE . 14.9 tt0 -33.66 -51.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -50.09 -60.62 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' ' 88' ' ' GLN . 9.9 mt -58.24 -43.22 87.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -46.67 -26.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -69.67 -59.45 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.619 ' NE2' HG11 ' A' ' 85' ' ' VAL . 11.1 pt20 -57.33 -46.59 83.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.26 -44.98 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -54.23 -46.94 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.59 -36.52 76.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -51.78 -46.69 64.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.0 mtm -82.3 -52.0 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -48.56 -28.34 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -78.47 -63.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 119' ' ' SER . 8.3 m-20 -89.28 -67.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.548 ' OG ' ' CZ ' ' A' ' 32' ' ' PHE . 7.8 t -33.64 -51.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -58.22 -62.63 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.4 m -47.05 -58.61 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -57.57 -41.06 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -52.2 -47.7 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.62 -64.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -44.79 -40.69 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.4 m -54.74 167.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -77.51 -43.65 31.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.1 mt -33.35 -34.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 127' ' ' ASP . 48.0 t80 -89.29 -67.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.546 HD23 ' HE2' ' A' ' 133' ' ' LYS . 9.7 mt -37.29 -40.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -61.61 -45.75 92.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 129' ' ' PHE . 1.9 t-160 -65.68 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.546 ' HE2' HD23 ' A' ' 130' ' ' LEU . 11.4 pttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.487 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 4.6 m -93.77 -45.7 7.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.467 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 3.0 p -44.2 -41.66 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.83 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -57.01 -54.38 47.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.487 ' CZ2' ' HB3' ' A' ' 11' ' ' SER . 10.0 m0 -54.61 -47.77 72.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.62 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.7 -46.4 58.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -165.12 152.96 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.984 HD23 ' CE1' ' A' ' 112' ' ' PHE . 30.7 tp -58.01 -44.88 87.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -44.13 -42.92 6.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.468 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 53.0 m-20 -64.71 -33.42 75.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 32' ' ' PHE . 4.4 tp -73.11 -41.72 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.629 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 81.8 mt -72.11 -46.34 57.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.468 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -60.98 -45.95 92.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 2.3 t70 -71.39 140.48 84.9 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.631 0.729 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.5 Cg_endo -69.67 -50.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -57.4 -41.72 80.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.49 -54.27 39.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.5 t -50.4 -44.48 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -58.59 -55.61 32.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -57.02 -47.91 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.801 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 24.3 t80 -55.48 -54.72 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -50.63 -45.13 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.52 -44.96 46.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -72.48 -50.35 26.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.801 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 79.9 mt -40.97 -53.44 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 36.8 tttt -35.41 -38.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -41.16 -66.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.01 17.61 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 58.41 46.37 15.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 p -107.1 16.97 23.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.28 -28.5 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.866 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -74.77 -38.55 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' OD1' ' OE2' ' A' ' 43' ' ' GLU . 2.7 m120 -39.28 -53.59 1.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 46' ' ' LEU . 27.4 m -72.93 -43.1 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' ' 43' ' ' GLU . 35.7 mt -41.13 -42.99 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -74.62 -34.91 62.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.629 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 56.7 t90 -66.59 -42.16 87.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ALA . 18.9 mt -61.66 -56.48 19.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -36.75 -46.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 91.1 m -48.49 -64.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 8.6 mm-40 -45.43 -30.89 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -78.1 -61.73 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -39.68 -32.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -89.29 -29.1 19.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 53' ' ' ASP . 8.2 ptmt -61.49 -40.38 94.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.4 ptp -77.43 146.85 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.27 -36.11 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -52.12 118.73 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' THR . 8.9 ttpp -66.21 -57.33 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' LYS . 18.5 m -36.82 -56.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -52.08 -46.73 65.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' GLN . 53.7 mtp -55.46 -53.18 59.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' MET . 90.6 mt-30 -35.15 -38.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -80.16 -66.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -39.82 -41.17 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.94 -68.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.559 ' HA ' HD22 ' A' ' 96' ' ' LEU . 7.1 ptmt -58.13 -35.28 71.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 4.6 mm-40 -53.84 -66.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.6 mt -52.73 -37.97 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.7 t80 -61.65 -52.01 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.405 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 93.1 mmm -69.72 1.95 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.3 m -95.78 -59.86 1.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -112.18 -31.5 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.838 HD13 HD22 ' A' ' 91' ' ' LEU . 22.5 mt -79.02 17.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 26.0 t -121.13 147.01 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -73.38 149.31 42.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? 61.19 37.41 17.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -82.65 121.83 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ALA . 15.2 t -36.32 -39.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m -138.84 114.08 9.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -113.78 146.91 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -87.85 139.95 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.475 ' O ' HD22 ' A' ' 114' ' ' LEU . 8.8 m-20 -71.2 120.25 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.431 HG21 ' CB ' ' A' ' 88' ' ' GLN . 6.6 m -149.31 152.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -66.98 -43.69 82.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -127.64 -92.84 0.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.7 ' HG3' HD22 ' A' ' 107' ' ' LEU . 23.4 tt0 57.57 35.05 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.327 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 91' ' ' LEU . 80.4 p -117.36 -37.69 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -38.18 -31.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.838 HD22 HD13 ' A' ' 75' ' ' LEU . 2.5 pp -71.5 165.27 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.766 ' O ' HG22 ' A' ' 95' ' ' ILE . 15.8 t-20 -168.03 169.17 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' ASN . 13.0 mt-10 -32.74 -37.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' ASN . 1.5 mmmp? -54.42 -48.36 71.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 92' ' ' ASN . 13.8 tt -43.87 -22.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.559 HD22 ' HA ' ' A' ' 68' ' ' LYS . 36.6 mt -78.15 -36.62 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 22.1 mt-10 -32.59 -65.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 63.0 mt-10 -108.84 101.99 46.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.632 0.729 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.78 127.99 15.37 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.52 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.5 OUTLIER -149.56 146.5 20.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.618 0.723 . . . . 0.0 110.803 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 18.14 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.725 2.283 . . . . 0.0 112.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 100' ' ' HIS . 6.0 mt -114.58 -21.15 10.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.52 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 9.2 ptm -52.85 -42.63 65.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.496 ' HE1' HD11 ' A' ' 75' ' ' LEU . 16.3 m-85 -99.27 -32.23 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 104' ' ' PHE . 1.1 tm0? -31.97 -44.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -66.81 -55.51 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.7 HD22 ' HG3' ' A' ' 88' ' ' GLN . 27.4 mt -53.28 -34.74 58.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.508 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 8.2 tt0 -57.6 -28.68 63.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -67.83 -64.7 0.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -49.0 -43.69 40.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.33 -48.82 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.984 ' CE1' HD23 ' A' ' 19' ' ' LEU . 41.2 t80 -48.23 -58.34 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' LEU . 14.5 m-20 -64.19 -47.36 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 84' ' ' ASN . 15.8 tp -36.85 -64.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 120' ' ' TYR . 35.2 mtm -66.6 -34.57 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -46.09 -31.89 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -116.12 -29.26 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -75.37 -59.53 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 120' ' ' TYR . 15.6 m -96.11 -67.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.495 ' CD1' HD13 ' A' ' 19' ' ' LEU . 87.7 t80 -32.34 -64.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 t -40.24 -52.05 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -65.03 -46.21 82.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -41.54 -66.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.9 mt -44.08 -52.76 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.63 -41.15 76.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.4 t -55.09 147.13 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 128' ' ' LEU . 9.7 m-20 -64.15 -41.57 97.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.1 tt -33.81 -43.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -84.59 -61.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.0 mt -39.75 -60.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -41.91 -58.26 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -57.19 -36.54 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.333 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 -55.89 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 p -48.68 -47.19 41.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.159 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.15 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -57.48 -42.52 82.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.418 ' HB3' HD13 ' A' ' 22' ' ' LEU . 14.9 m0 -64.79 -51.85 60.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.23 85.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.45 -58.56 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.2 m -155.48 147.77 23.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' GLU . 23.7 tp -51.78 -54.82 24.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' LEU . 35.2 mt-10 -35.0 -66.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' GLU . 46.7 m-20 -36.66 -39.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' LEU . 5.2 tp -68.0 -48.21 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD13 ' CH2' ' A' ' 48' ' ' TRP . 35.6 mt -60.05 -29.86 68.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.5 -51.12 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.08 139.19 87.8 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -31.3 20.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.52 -38.71 59.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.96 -44.84 93.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.83 -45.08 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -55.67 -43.99 76.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -74.2 -42.19 60.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -54.46 -54.63 38.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -46.05 -62.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -39.0 -51.02 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -55.07 -41.22 71.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.0 mt -70.93 -47.05 61.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.17 -44.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -50.2 -61.13 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -78.6 9.33 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 54.34 42.61 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB3' ' ND2' ' A' ' 44' ' ' ASN . 41.3 m -115.45 16.46 16.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 45' ' ' VAL . 32.6 tt0 -53.47 -48.39 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 46' ' ' LEU . 5.9 pt-20 -44.04 -22.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLU . 28.0 m-20 -54.55 -56.02 23.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 42' ' ' GLU . 15.8 m -72.01 -27.39 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 43' ' ' GLU . 76.9 mt -63.7 -39.88 95.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 41.0 t80 -76.67 -40.47 48.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.507 ' CH2' HD13 ' A' ' 23' ' ' LEU . 81.6 t90 -64.07 -44.75 91.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.0 mt -58.5 -56.07 26.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.33 -51.14 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.0 m -45.86 -63.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -50.43 -50.05 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -52.98 -40.83 64.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -57.45 -54.88 41.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.4 ptpt -62.98 -31.55 72.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 25.1 mtmt -59.65 -26.82 65.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.0 mtm -75.18 135.19 41.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -97.0 -40.28 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.89 134.76 55.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -69.23 -59.06 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 m -38.2 -62.57 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -48.31 -37.68 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mtt -72.05 -39.91 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -48.75 -44.43 38.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.55 -61.85 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' ALA . 38.1 tptt -42.18 -49.98 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' LYS . . . -33.25 -68.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.628 ' HA ' HD22 ' A' ' 96' ' ' LEU . 1.5 ptmm? -66.61 -33.33 75.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.57 -58.02 6.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.3 mt -63.98 -34.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.863 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.3 t80 -59.35 -39.5 83.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.427 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 6.0 mmt -87.6 15.77 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.698 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 57.4 m -98.01 -58.65 1.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.698 ' CE1' ' CG2' ' A' ' 73' ' ' THR . 1.2 m-85 -118.0 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.863 HD12 ' HA ' ' A' ' 71' ' ' TYR . 15.9 mt -64.72 -31.59 72.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.427 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -56.94 169.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.832 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 m -84.21 -45.78 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 13.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.14 113.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 t -62.92 -30.29 71.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB3' ' CD ' ' A' ' 43' ' ' GLU . 2.1 m -131.55 102.16 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -100.37 132.69 45.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.2 m -91.98 163.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -82.34 110.29 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG21 ' CD ' ' A' ' 88' ' ' GLN . 4.3 m -118.05 -36.27 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 52.08 47.25 25.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.66 58.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.572 ' CD ' HG21 ' A' ' 85' ' ' VAL . 6.1 pm0 -117.91 -30.7 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' ARG . 6.1 m -40.08 -33.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' SER . 26.5 mtt85 -38.07 -32.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 91' ' ' LEU . 1.4 pp -70.34 173.71 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.919 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.7 t-20 -162.1 160.02 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -45.95 -33.29 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -58.86 -36.93 75.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.919 HG22 ' O ' ' A' ' 92' ' ' ASN . 2.9 tt -47.02 -23.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 68' ' ' LYS . 35.0 mt -76.07 -34.88 59.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LEU . 41.6 mt-10 -34.77 -67.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 31.9 mt-10 -102.71 102.03 24.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.8 121.23 7.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.375 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.4 OUTLIER -147.35 147.44 28.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.561 0.696 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 14.17 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.432 ' H ' ' C ' ' A' ' 100' ' ' HIS . 3.5 mt -113.48 -10.32 13.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.718 ' HB2' HD11 ' A' ' 95' ' ' ILE . 10.3 ptm -60.56 -43.42 97.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 105' ' ' GLN . 17.9 m-85 -100.01 -30.93 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -33.4 -47.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -57.58 -56.93 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.87 -48.13 82.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -43.97 -57.27 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -44.51 -28.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.401 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 8.7 mm-40 -73.01 -49.08 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.7 mm -63.26 -41.8 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -48.82 -56.46 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 114' ' ' LEU . 2.5 p30 -63.28 -49.32 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.461 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 4.0 tp -40.89 -51.0 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 60.9 mtm -80.51 -56.02 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -45.66 -22.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -82.81 -63.67 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 119' ' ' SER . 5.5 m-20 -93.66 -68.3 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 118' ' ' ASP . 1.7 t -32.41 -69.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 123' ' ' PHE . 23.5 t80 -44.19 -68.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.3 t -41.51 -41.86 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.79 -35.03 74.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 120' ' ' TYR . 67.9 t80 -54.96 -56.62 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.36 -52.02 67.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -58.45 -33.69 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.424 ' O ' HD12 ' A' ' 130' ' ' LEU . 9.9 m -62.33 175.31 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 129' ' ' PHE . 1.7 m-20 -90.55 -39.89 12.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 127' ' ' ASP . 3.3 mt -36.09 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 127' ' ' ASP . 9.7 t80 -95.01 -68.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 126' ' ' SER . 20.0 mt -37.29 -40.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' LEU . 23.0 tttm -35.68 -66.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 133' ' ' LYS . 10.2 t60 -56.85 -47.96 79.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 132' ' ' HIS . 14.8 ttpp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.788 0.327 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 m -94.89 -46.08 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.493 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 70.9 p -45.95 -50.41 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.36 -56.39 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -48.15 -53.37 16.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 8.8 m0 -58.85 -45.51 89.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.55 92.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.99 -51.72 49.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -161.52 164.38 29.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 116' ' ' LYS . 61.2 tp -61.91 -46.14 90.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.76 -62.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.428 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 19.2 m-20 -42.01 -32.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 6.6 tp -74.64 -56.36 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.2 mt -57.54 -46.77 83.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -59.38 -43.05 92.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 3.8 t70 -80.64 140.93 51.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.576 0.703 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -51.3 -40.48 59.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.59 -49.65 71.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.3 t -56.58 -48.54 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -49.26 64.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -66.77 -46.2 76.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.487 ' CD2' HD11 ' A' ' 36' ' ' LEU . 6.9 t80 -54.24 -55.43 28.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 -42.25 -55.7 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -45.57 -61.14 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.458 ' HB2' HD12 ' A' ' 128' ' ' LEU . 22.6 t80 -50.35 -55.8 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 32' ' ' PHE . 94.9 mt -44.61 -55.98 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' LEU . 14.2 tmtt? -34.57 -44.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -44.28 -59.78 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -90.28 17.87 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 56.71 43.09 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.434 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.0 m -108.28 17.8 21.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 45' ' ' VAL . 35.8 tt0 -64.77 -51.24 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.773 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.1 pm0 -53.15 -38.25 62.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -40.24 -53.11 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 42' ' ' GLU . 11.3 m -70.39 -35.89 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 43' ' ' GLU . 79.7 mt -57.08 -36.89 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.549 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 25.3 t80 -80.58 -38.19 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.592 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 80.8 t90 -61.11 -45.93 92.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.98 -51.38 62.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.76 -41.45 6.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -54.51 -61.61 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -57.68 -35.5 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -73.81 -25.02 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 37.2 t80 -74.94 -29.31 60.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.43 -29.67 20.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 53' ' ' ASP . 10.3 ptmt -60.81 -35.66 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.39 137.89 58.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.1 -44.03 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 129.06 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 63' ' ' MET . 18.9 tptm -66.21 -48.31 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.5 m -46.6 -56.89 5.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -50.03 -36.08 27.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.418 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 6.3 mtp -70.25 -45.13 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -40.62 -49.01 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' LYS . 22.2 mt-10 -70.27 -68.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' GLU . 25.0 tptt -36.16 -35.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . -53.47 -70.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.78 -31.56 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 3.1 tt0 -54.87 -36.78 65.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.2 mt -85.97 -47.59 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.586 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.5 t80 -54.76 -43.36 72.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 11.2 mmt -72.73 2.6 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 m -96.33 -67.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -106.24 -32.78 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.621 HD13 HD12 ' A' ' 91' ' ' LEU . 17.5 mt -76.55 17.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -129.68 135.53 48.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -43.12 -68.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -65.63 102.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB3' ' HG3' ' A' ' 82' ' ' GLN . . . -155.37 124.66 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.8 t -61.04 -37.76 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -130.41 106.82 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.45 ' HG3' ' HB3' ' A' ' 79' ' ' ALA . 4.8 mt-30 -110.68 154.95 23.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.91 170.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.84 113.91 25.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG12 ' CD ' ' A' ' 110' ' ' GLN . 34.5 m -157.06 136.34 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 87' ' ' GLY . 52.2 mt-10 -81.39 121.75 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 86' ' ' GLU . . . 31.15 48.53 0.2 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.485 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 38.9 tp60 -117.15 -32.79 4.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -79.86 12.13 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -81.59 16.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.621 HD12 HD13 ' A' ' 75' ' ' LEU . 63.1 mt -54.56 153.31 5.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.64 ' O ' HG22 ' A' ' 95' ' ' ILE . 68.9 m-20 -99.06 179.25 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -88.92 -20.69 24.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -30.59 69.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 92' ' ' ASN . 2.3 tt -60.76 -42.29 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 71' ' ' TYR . 24.3 mt -50.83 -34.87 29.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 96' ' ' LEU . 73.5 mt-10 -32.64 -64.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -110.98 102.16 51.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 133.06 24.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.357 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -150.96 148.37 22.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 110.839 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 10.21 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.54 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 8.3 mt -112.4 17.28 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.593 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 10.6 ptm -95.72 -41.24 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.593 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.3 m-85 -103.74 -33.27 8.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -38.69 -47.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -60.35 -53.53 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.485 ' CD2' ' HG3' ' A' ' 88' ' ' GLN . 17.3 mt -55.53 -41.05 72.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.592 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 37.5 tt0 -48.87 -30.53 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.02 -62.3 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 17.9 pt20 -58.11 -37.56 74.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.485 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 42.2 mm -63.79 -44.97 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -56.25 -52.4 64.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 3.4 m-20 -67.28 -49.1 65.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 113' ' ' ASN . 15.1 tp -37.18 -48.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.458 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 33.7 mtm -81.74 -61.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.477 ' HB2' HD22 ' A' ' 19' ' ' LEU . 11.9 ttpt -40.56 -27.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 5.0 m-85 -73.68 -68.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 119' ' ' SER . 36.1 t0 -95.16 -68.3 0.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 118' ' ' ASP . 70.7 m -32.11 -63.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.406 ' CB ' ' HA ' ' A' ' 116' ' ' LYS . 70.4 t80 -54.81 -62.55 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.8 t -40.67 -57.23 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 123' ' ' PHE . 54.7 mmt-85 -53.16 -51.46 61.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 122' ' ' ARG . 15.2 t80 -34.09 -60.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 97.1 mt -47.08 -54.72 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -56.72 -41.95 78.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.6 m -55.27 141.56 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.9 m-20 -56.89 -40.31 75.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 35' ' ' PHE . 12.4 mt -35.51 -41.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -89.96 -51.84 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 131' ' ' LYS . 16.7 mt -55.7 -60.33 3.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 130' ' ' LEU . 19.9 ttpp -34.04 -59.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -51.98 -61.07 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.4 tttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.433 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.744 0.307 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 13.0 m -95.3 -67.26 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.578 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 58.8 p -44.37 -34.78 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.08 -50.2 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HG2' ' CD1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -69.07 -26.57 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 29.2 m0 -70.05 -53.25 18.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.32 -43.11 92.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.89 -50.96 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 m -164.23 152.69 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 120' ' ' TYR . 53.0 tp -59.05 -47.36 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -42.97 -55.27 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' OD2' ' A' ' 25' ' ' ASP . 29.8 m-20 -49.0 -51.15 32.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 4.2 tp -61.3 -28.67 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 49.3 mt -75.47 -34.58 60.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.23 -56.23 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 22' ' ' LEU . 1.2 p30 -56.6 127.88 73.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -24.39 29.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 16.9 pm0 -82.73 -25.92 32.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -81.02 -36.56 21.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.8 t -72.54 -43.66 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 111.081 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HE2' ' CZ ' ' A' ' 31' ' ' ARG . 11.2 ptmt -45.23 -40.12 7.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.493 ' CZ ' ' HE2' ' A' ' 30' ' ' LYS . 4.3 mmt-85 -74.98 -60.77 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.797 ' CD2' HD11 ' A' ' 36' ' ' LEU . 1.9 t80 -33.78 -60.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' PHE . 41.9 mtp180 -37.88 -52.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.652 ' HB2' HD21 ' A' ' 128' ' ' LEU . 10.1 mt-10 -44.27 -68.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.55 ' HB2' HD22 ' A' ' 128' ' ' LEU . 78.8 t80 -50.16 -60.36 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.797 HD11 ' CD2' ' A' ' 32' ' ' PHE . 48.8 mt -40.34 -58.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -35.23 -50.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -46.31 -59.85 2.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -82.11 14.96 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 57.95 47.38 15.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.405 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.5 t -114.84 -5.67 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -53.03 -40.8 64.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.745 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -64.03 -24.83 67.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -56.97 -60.28 3.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.26 -28.19 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 43' ' ' GLU . 38.1 mt -57.59 -36.57 71.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 19.0 t80 -80.17 -43.41 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.509 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 84.9 t90 -57.22 -56.12 25.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.0 mt -44.03 -47.26 8.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.23 -46.54 75.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.0 m -45.57 -58.79 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.33 -63.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.77 -38.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -60.49 -60.38 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 14.3 ptpt -59.03 -30.03 67.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 32.7 mtmt -63.83 -38.74 92.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 69.5 mtm -59.45 127.68 33.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -87.02 -45.21 10.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.64 122.22 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -66.35 -49.27 67.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.0 m -44.02 -59.8 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -49.31 -47.17 47.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLN . 25.1 mtp -54.53 -52.34 62.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' MET . 80.9 mt-30 -37.97 -42.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.22 -66.97 0.62 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -40.83 -34.56 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.13 -67.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.519 ' HA ' HD22 ' A' ' 96' ' ' LEU . 2.7 ptmm? -62.97 -32.3 73.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -52.56 -66.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.9 mt -57.06 -37.84 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.571 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.7 t80 -61.69 -41.32 97.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.415 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 9.4 mmt -75.94 6.67 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.47 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 78.3 m -97.97 -68.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -108.75 -28.86 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.597 HD11 ' CE1' ' A' ' 104' ' ' PHE . 12.3 mt -77.79 14.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -124.9 161.95 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.8 m -75.96 156.57 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.5 tttm 54.82 39.08 31.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -74.36 116.07 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ALA . 59.6 m -34.61 -51.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.0 m -125.58 104.64 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -97.37 162.32 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.1 m -114.08 177.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -104.2 104.94 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 34.9 m -139.45 168.93 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -129.57 119.43 23.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.0 43.42 10.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -95.37 -50.12 5.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.492 ' N ' ' CD ' ' A' ' 88' ' ' GLN . 2.2 m -38.0 -27.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 88' ' ' GLN . 8.4 ttt180 -37.0 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 71' ' ' TYR . 3.5 pp -70.41 175.2 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.781 ' O ' HG22 ' A' ' 95' ' ' ILE . 68.2 m-20 -168.41 158.0 9.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' ASN . 27.1 mt-10 -36.6 -38.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -51.15 -47.62 62.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.781 HG22 ' O ' ' A' ' 92' ' ' ASN . 7.3 tt -43.06 -26.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.543 HD21 ' CG ' ' A' ' 71' ' ' TYR . 38.4 mt -74.23 -38.06 63.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 8.5 mt-10 -34.04 -66.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 8.0 mm-40 -105.51 101.99 35.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.7 131.9 22.31 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.36 149.66 18.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.405 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.0 Cg_endo -69.86 10.62 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.413 ' H ' ' C ' ' A' ' 100' ' ' HIS . 6.1 mt -106.06 -14.14 15.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.62 ' HB2' HD11 ' A' ' 95' ' ' ILE . 10.2 ptm -65.17 -42.38 93.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.597 ' CE1' HD11 ' A' ' 75' ' ' LEU . 5.4 m-85 -110.6 17.8 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.48 -44.17 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -73.08 -49.24 29.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.485 HD23 ' NE2' ' A' ' 110' ' ' GLN . 14.2 mt -53.95 -30.44 46.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.509 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 10.8 tt0 -71.48 -31.43 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.06 -65.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.485 ' NE2' HD23 ' A' ' 107' ' ' LEU . 8.2 pt20 -44.84 -48.22 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.507 ' O ' ' HE2' ' A' ' 115' ' ' MET . 27.5 mm -63.48 -41.31 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.4 ' CD1' HD23 ' A' ' 19' ' ' LEU . 44.5 t80 -56.93 -63.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -62.09 -30.4 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.66 -68.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.507 ' HE2' ' O ' ' A' ' 111' ' ' ILE . 29.3 mtm -61.96 -27.43 68.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -56.19 -31.53 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -117.23 -18.17 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.08 -67.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 120' ' ' TYR . 5.4 p -97.47 -59.08 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 115' ' ' MET . 61.4 t80 -32.77 -53.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -49.7 -50.85 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 125' ' ' LYS . 1.9 mpt_? -68.25 -62.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 122' ' ' ARG . 36.7 t80 -34.79 -34.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 122' ' ' ARG . 25.5 mt -68.05 -48.68 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 122' ' ' ARG . 15.9 pttm -66.59 -34.48 77.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.8 p -57.75 177.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 128' ' ' LEU . 21.2 p-10 -83.16 -42.83 16.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 34' ' ' GLU . 10.0 tp -34.15 -38.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -90.9 -66.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 131' ' ' LYS . 78.6 mt -42.66 -53.99 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -33.97 -61.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 133' ' ' LYS . 4.8 t60 -41.72 -63.92 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' HIS . 23.0 mttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.496 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 68.6 m -57.79 -54.86 42.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.448 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 42.7 p -41.15 -56.25 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.14 -44.35 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -63.06 -58.04 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.496 ' CZ2' ' HB3' ' A' ' 11' ' ' SER . 10.5 m0 -51.52 -40.87 60.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.79 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -48.85 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.6 p -168.13 160.45 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 22' ' ' LEU . 32.0 tp -60.53 -44.95 95.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -42.11 -47.29 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.471 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 15.8 m-20 -60.32 -32.87 71.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 32' ' ' PHE . 4.6 tp -73.41 -44.45 58.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.679 HD13 ' CH2' ' A' ' 48' ' ' TRP . 75.6 mt -68.13 -46.58 70.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 3.0 pp20? -60.62 -45.81 92.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.19 139.03 87.16 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -43.5 2.66 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -60.97 -40.5 93.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.66 -58.17 14.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -43.53 -52.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -49.14 -49.83 40.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -65.3 -50.54 65.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.716 ' CE2' HD11 ' A' ' 36' ' ' LEU . 9.8 t80 -49.42 -58.64 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH2' ' OE2' ' A' ' 42' ' ' GLU . 29.8 mtp-105 -44.35 -59.19 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -40.47 -57.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -52.97 -58.38 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.716 HD11 ' CE2' ' A' ' 32' ' ' PHE . 41.0 mt -48.72 -56.33 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' LEU . 7.1 ttpt -32.43 -47.6 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -45.74 -59.81 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -84.58 16.3 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 53.35 43.61 31.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.433 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.8 m -117.92 17.62 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.862 ' O ' HG22 ' A' ' 45' ' ' VAL . 37.8 tt0 -64.35 -55.05 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 1.0 OUTLIER -42.25 -34.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.417 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 47.9 m-20 -44.94 -40.97 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 42' ' ' GLU . 16.1 m -82.65 -32.86 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.7 mt -56.64 -39.73 74.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 14.0 t80 -76.98 -42.21 39.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.679 ' CH2' HD13 ' A' ' 23' ' ' LEU . 77.7 t90 -61.45 -57.09 13.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mt -47.01 -51.2 17.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.21 -37.77 55.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.7 m -57.53 -59.91 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 5.4 pt-20 -63.35 -31.56 72.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -74.94 -30.63 61.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -71.39 -28.94 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -91.18 -29.93 16.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -59.74 -35.57 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 66.1 mtm -60.13 159.62 9.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -115.88 -37.63 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.96 132.2 52.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -75.01 -45.38 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.5 m -55.77 -58.83 6.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -44.3 -41.18 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 mtp -61.7 -42.47 98.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -51.88 -45.58 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.98 -61.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -50.11 -33.23 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.53 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.447 ' HA ' HD22 ' A' ' 96' ' ' LEU . 11.5 pttt -64.0 -36.4 83.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.13 -64.09 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.2 mt -58.25 -39.18 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.625 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.3 t80 -58.51 -49.04 78.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.441 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 21.9 mtp -66.5 -5.9 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -82.59 -67.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 1.3 m-85 -111.1 -31.78 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 71' ' ' TYR . 23.1 mt -73.14 17.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 74' ' ' PHE . 37.3 t -120.35 158.34 27.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 t -79.05 144.3 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 59.51 41.47 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.01 136.89 46.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -48.51 -53.71 17.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.4 m -121.85 102.8 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -101.99 125.4 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.03 178.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.441 ' O ' HG13 ' A' ' 85' ' ' VAL . 73.8 m-20 -114.74 112.2 22.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.64 HG21 ' HB3' ' A' ' 88' ' ' GLN . 22.4 m -157.47 175.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -93.18 -61.66 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -115.3 104.8 1.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.64 ' HB3' HG21 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -140.45 178.04 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.419 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . 25.0 t 67.92 35.56 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -82.65 17.95 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -119.4 161.31 20.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.913 ' O ' HG22 ' A' ' 95' ' ' ILE . 6.5 m120 -127.45 158.37 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -36.66 -43.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 97' ' ' GLU . 1.3 mptp? -46.38 -44.36 16.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.913 HG22 ' O ' ' A' ' 92' ' ' ASN . 10.4 tt -41.56 -29.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' GLU . 59.6 mt -67.89 -39.99 83.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' LEU . 30.3 mt-10 -34.85 -60.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 64.7 mm-40 -114.45 101.99 54.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.73 143.07 49.78 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.469 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.81 146.78 14.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 19.02 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 100' ' ' HIS . 11.1 mt -111.63 -23.3 10.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.6 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 7.9 ptm -56.86 -47.0 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.6 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.9 m-85 -101.1 17.9 21.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -80.52 -58.07 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -61.24 -59.98 4.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.0 mt -46.83 -37.65 9.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.91 -34.88 79.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -59.87 -64.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -48.21 -50.29 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.74 -44.78 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -50.31 -47.82 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 68.0 m-80 -71.13 -45.41 63.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.6 tp -39.22 -49.84 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.481 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 29.1 mtm -82.72 -56.76 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 9.5 tttm -45.63 -23.75 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 3.4 m-85 -78.33 -67.56 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 119' ' ' SER . 1.0 OUTLIER -93.77 -67.01 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 118' ' ' ASP . 37.2 m -32.03 -70.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 116' ' ' LYS . 63.9 t80 -39.8 -51.73 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 m -59.78 -46.75 88.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -59.42 -40.76 87.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -58.37 -59.99 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.6 mt -44.21 -43.53 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.67 -43.57 79.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.0 p -54.88 145.98 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 128' ' ' LEU . 5.1 p-10 -58.01 -43.0 86.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.8 mt -33.32 -41.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.586 ' CZ ' ' HD2' ' A' ' 133' ' ' LYS . 38.3 t80 -84.09 -61.91 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 43.1 mt -42.58 -55.28 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 12.8 tttp -34.29 -62.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.405 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 2.5 t60 -46.06 -51.71 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.586 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 18.3 mtpp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.795 0.331 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -87.97 -50.0 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.518 HG21 ' CA ' ' A' ' 133' ' ' LYS . 2.5 p -55.38 -31.55 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.0 81.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -59.14 -44.15 92.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -61.21 -45.86 92.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.13 83.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.17 -59.27 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -148.39 142.47 25.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.522 HD23 ' CE1' ' A' ' 112' ' ' PHE . 37.7 tp -49.04 -46.97 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -45.81 -53.78 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -44.37 -36.58 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 5.2 tp -71.44 -55.19 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.418 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 58.7 mt -54.91 -46.72 74.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 18.5 pt-20 -63.04 -41.63 99.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.3 m-20 -72.05 137.89 82.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.45 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -55.89 -37.28 68.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.11 -60.71 6.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 25' ' ' ASP . 94.8 t -42.58 -41.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 111.146 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -64.06 -61.28 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -51.46 -46.59 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -53.53 -60.1 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -44.42 -45.93 9.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -48.82 -59.79 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -60.96 -41.19 95.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.2 mt -54.48 -38.5 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -53.4 -38.08 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -43.35 -46.84 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.89 9.78 32.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 63.27 44.09 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -111.05 17.22 20.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.667 ' O ' HG22 ' A' ' 45' ' ' VAL . 34.7 tt0 -65.03 -31.69 73.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 46' ' ' LEU . 4.9 pt-20 -63.31 -33.9 76.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.541 ' HA ' HG12 ' A' ' 83' ' ' VAL . 27.3 m-20 -45.68 -44.4 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 42' ' ' GLU . 18.0 m -78.73 -33.47 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 43' ' ' GLU . 29.8 mt -56.19 -34.16 65.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 36.2 t80 -79.2 -50.3 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.418 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 87.9 t90 -52.28 -47.84 65.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.71 -47.82 84.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.35 -46.7 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.7 m -52.92 -51.32 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' OE1' ' CH2' ' A' ' 48' ' ' TRP . 27.3 mt-10 -60.81 -55.02 38.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.83 -18.91 9.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CE2' ' SD ' ' A' ' 103' ' ' MET . 49.2 t80 -82.13 -42.41 19.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -84.41 -20.23 32.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -68.87 -39.83 79.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ptp -76.15 152.5 36.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.71 10.03 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.68 118.35 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -61.87 -58.68 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.9 m -41.56 -57.91 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -54.57 -43.12 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.9 mtp -59.74 -42.46 93.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -44.7 -50.59 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' LYS . 8.5 mt-10 -72.09 -68.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HG3' HD11 ' A' ' 70' ' ' ILE . 7.6 tptp -35.81 -40.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.78 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.774 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -70.06 -38.87 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' A' ' 66' ' ' LYS . 2.9 tt0 -48.3 -34.52 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.507 HD11 ' HG3' ' A' ' 66' ' ' LYS . 77.7 mt -86.09 -46.75 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.623 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.9 t80 -57.51 -30.79 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.8 mmt -86.65 5.97 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 m -97.96 -56.73 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 1.5 m-85 -117.89 -32.17 4.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 71' ' ' TYR . 19.3 mt -79.48 15.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -119.28 150.15 40.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.8 m -75.63 152.19 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? 54.16 43.56 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.69 130.39 37.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.7 t -45.52 -53.79 8.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -117.33 102.83 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -113.2 125.1 53.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 44' ' ' ASN . 27.5 m -66.35 142.05 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.91 115.98 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.606 ' CG1' HD11 ' A' ' 111' ' ' ILE . 30.6 m -149.77 122.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.35 120.62 21.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.58 84.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.44 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -54.82 161.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 91' ' ' LEU . 72.9 m -68.63 173.78 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -76.38 15.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.708 ' CD1' HD11 ' A' ' 107' ' ' LEU . 52.4 mt -51.98 143.43 13.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.817 ' O ' HG22 ' A' ' 95' ' ' ILE . 16.1 m120 -137.78 164.27 29.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 10.3 mp0 -57.43 -23.85 52.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -58.22 -37.02 74.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.817 HG22 ' O ' ' A' ' 92' ' ' ASN . 16.1 tt -52.25 -23.8 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 68' ' ' LYS . 16.0 mt -67.19 -29.25 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -52.59 -42.07 64.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 43.3 mt-10 -126.47 102.38 26.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.74 128.81 16.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -151.86 148.4 21.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 110.893 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.7 4.18 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.636 2.224 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 6.0 mt -103.56 17.87 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.568 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 7.0 ptm -88.34 -45.87 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.8 m-85 -109.37 16.85 22.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -63.15 -41.15 99.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 106' ' ' LYS . 2.2 mppt? -75.8 -53.47 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.708 HD11 ' CD1' ' A' ' 91' ' ' LEU . 7.1 mt -51.88 -31.61 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.23 -27.63 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -74.06 -66.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -43.7 -43.95 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.606 HD11 ' CG1' ' A' ' 85' ' ' VAL . 39.6 mm -67.43 -39.91 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.522 ' CE1' HD23 ' A' ' 19' ' ' LEU . 30.6 t80 -58.72 -61.02 2.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -64.57 -30.47 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 22.8 tp -50.88 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' TYR . 34.8 mtm -65.38 -26.45 68.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -56.08 -31.16 62.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -117.97 -13.92 10.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.406 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 1.0 OUTLIER -89.99 -68.74 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 122' ' ' ARG . 64.5 m -90.78 -60.45 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 115' ' ' MET . 56.5 t80 -32.15 -46.72 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 m -63.72 -47.48 80.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -69.72 -61.08 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 129' ' ' PHE . 25.4 t80 -34.78 -32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' ARG . 64.8 mt -70.57 -62.8 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -42.78 -37.13 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.453 ' O ' HD12 ' A' ' 130' ' ' LEU . 6.4 t -56.98 177.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 128' ' ' LEU . 10.5 m-20 -97.71 -38.61 9.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.7 tt -34.16 -41.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 123' ' ' PHE . 2.4 t80 -92.3 -57.37 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.481 HD23 ' HD3' ' A' ' 133' ' ' LYS . 51.3 mt -53.7 -58.53 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 127' ' ' ASP . 0.5 OUTLIER -44.83 -30.32 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -78.05 -45.02 24.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.518 ' CA ' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 37.3 p -83.46 -49.9 8.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.799 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.445 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 37.1 p -38.96 -53.35 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.51 -44.28 68.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -60.52 -46.96 88.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 18.8 m0 -61.63 -50.91 70.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.29 -40.92 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.04 -54.62 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t -157.59 152.7 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.11 -41.01 91.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -47.23 -41.91 19.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -64.07 -35.68 81.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 5.8 tp -73.22 -50.12 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.612 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 31.5 mt -64.3 -45.57 87.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -61.33 -36.12 79.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 9.7 m-20 -87.27 142.76 33.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.84 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -51.52 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -46.19 -44.3 15.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.59 -61.98 6.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -42.65 -47.79 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -51.23 -53.06 38.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -65.38 -48.27 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.06 -45.96 64.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -54.59 -59.56 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -40.54 -54.0 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 122' ' ' ARG . 83.1 t80 -56.09 -64.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 69.9 mt -45.82 -59.02 3.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LEU . 1.1 tmmt? -36.4 -41.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -46.9 -49.32 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.59 17.93 19.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 60.52 38.71 18.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.403 ' OG ' ' ND2' ' A' ' 44' ' ' ASN . 27.0 t -102.62 -13.92 16.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.59 ' OE2' HD11 ' A' ' 46' ' ' LEU . 12.6 tt0 -43.03 -58.06 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.925 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 pt-20 -35.04 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.542 ' N ' ' O ' ' A' ' 42' ' ' GLU . 42.6 m-20 -52.76 -66.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 46' ' ' LEU . 12.2 m -57.03 -39.51 66.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.925 HD12 ' HA ' ' A' ' 43' ' ' GLU . 81.9 mt -47.39 -38.8 13.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.538 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 4.3 t80 -79.68 -42.23 25.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.612 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 85.9 t90 -58.46 -47.35 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.4 mt -57.22 -55.51 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.51 -45.05 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.3 m -47.67 -56.05 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -66.85 -63.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.9 -39.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -57.97 -62.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.5 ptpt -56.39 -34.38 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 21.4 mtmm -60.77 -45.38 94.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 56' ' ' LYS . 14.6 mtm -34.41 -41.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 54.69 40.48 31.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -141.63 128.99 21.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -63.17 -61.19 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.2 m -47.81 -61.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -49.13 -40.57 33.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 mtt -66.69 -42.31 86.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -49.38 -38.57 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -81.48 -67.53 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' CB ' ' HE1' ' A' ' 57' ' ' MET . 31.5 tptt -41.25 -41.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -41.27 -67.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HA ' HD22 ' A' ' 96' ' ' LEU . 1.2 ptmm? -63.79 -35.84 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -50.92 -61.72 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.3 mt -57.94 -40.73 77.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.547 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.4 t80 -55.9 -51.02 69.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.411 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 84.1 mmm -69.44 -5.7 25.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 m -79.55 -63.07 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 1.7 m-85 -117.98 -30.96 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.731 HD22 HD21 ' A' ' 91' ' ' LEU . 28.7 mt -75.13 18.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 74' ' ' PHE . 3.8 t -107.49 165.31 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.4 p -80.62 -52.2 7.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -80.56 17.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' A' ' 82' ' ' GLN . . . -58.99 111.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.7 p -52.39 -33.51 43.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 m -125.59 104.4 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.468 ' HG3' ' HB3' ' A' ' 79' ' ' ALA . 5.7 mt-30 -110.37 147.69 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -104.81 165.51 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -85.6 129.26 34.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.836 HG21 ' HB3' ' A' ' 88' ' ' GLN . 2.4 m -143.58 170.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 8.1 pt-20 -111.54 -36.52 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -145.68 46.1 0.79 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.836 ' HB3' HG21 ' A' ' 85' ' ' VAL . 0.7 OUTLIER -96.06 -63.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLN . 3.3 t -36.8 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 88' ' ' GLN . 65.3 mtt180 -36.93 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.731 HD21 HD22 ' A' ' 75' ' ' LEU . 4.0 pp -61.09 174.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.737 ' O ' HG22 ' A' ' 95' ' ' ILE . 15.1 t-20 -165.87 166.35 17.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 92' ' ' ASN . 38.3 mt-10 -32.99 -37.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' ASN . 5.1 mmmm -53.06 -48.71 67.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 92' ' ' ASN . 8.4 tt -44.89 -23.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 68' ' ' LYS . 51.8 mt -77.86 -35.31 51.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 96' ' ' LEU . 18.2 mt-10 -32.06 -64.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.441 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 31.7 mt-10 -113.81 102.0 54.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.68 0.752 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.78 133.58 25.88 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.4 OUTLIER -152.96 148.74 20.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.84 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.4 Cg_endo -69.76 19.48 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.5 mt -115.58 -29.04 6.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.516 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 8.7 ptm -44.96 -43.13 8.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 10.5 m-85 -100.75 -29.38 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 104' ' ' PHE . 18.5 tt0 -31.98 -44.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 106' ' ' LYS . 8.4 mptt -75.4 -49.73 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.423 HD12 ' HD1' ' A' ' 104' ' ' PHE . 31.9 mt -55.04 -34.05 63.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.594 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 30.3 tt0 -65.43 -30.94 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.0 -67.1 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -46.15 -51.12 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.3 mm -61.9 -41.4 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -56.94 -62.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 67.1 m-80 -55.94 -43.56 77.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' A' ' 118' ' ' ASP . 12.6 tp -42.1 -72.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.436 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 55.7 mtm -52.54 -29.99 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 113' ' ' ASN . 17.5 ttpt -47.85 -48.03 31.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.451 ' CE1' ' O ' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -115.47 3.87 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.484 ' HB3' ' O ' ' A' ' 114' ' ' LEU . 2.4 t0 -98.02 -63.7 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 121' ' ' SER . 14.1 m -97.68 -62.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.454 ' C ' ' O ' ' A' ' 119' ' ' SER . 74.9 t80 -32.92 -35.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 119' ' ' SER . 34.2 t -60.63 -61.78 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 11.5 ptp180 -68.17 -31.25 70.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -54.95 -35.5 64.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.39 -55.31 6.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -57.17 -35.23 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.6 p -54.44 163.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.5 m-20 -76.35 -41.16 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 127' ' ' ASP . 8.8 tp -33.99 -36.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 127' ' ' ASP . 32.6 t80 -96.06 -64.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 131' ' ' LYS . 25.5 mt -40.68 -50.98 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -33.99 -58.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 133' ' ' LYS . 8.4 t60 -65.63 -56.05 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 132' ' ' HIS . 2.0 ttpm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.742 0.305 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.4 p -59.6 -52.51 65.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.503 HG21 ' HA ' ' A' ' 133' ' ' LYS . 16.4 p -47.01 -32.72 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -46.68 66.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -57.56 -41.42 80.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.499 ' N ' ' CD1' ' A' ' 15' ' ' TRP . 9.9 m0 -62.46 -62.1 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.76 -33.66 10.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.59 -49.25 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.7 m -164.32 164.48 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 112' ' ' PHE . 56.6 tp -64.79 -45.83 84.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 23' ' ' LEU . 48.0 mt-10 -45.75 -65.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -38.47 -45.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 32' ' ' PHE . 6.0 tp -62.97 -44.37 96.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.538 HD13 ' CH2' ' A' ' 48' ' ' TRP . 38.2 mt -64.23 -43.67 94.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -56.13 11.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' HG23 ' A' ' 29' ' ' VAL . 12.2 t70 -53.47 139.88 47.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.638 0.732 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.8 Cg_endo -69.8 -42.84 3.02 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.45 -41.78 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.78 -41.32 97.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 25' ' ' ASP . 94.9 t -66.16 -41.84 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.118 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -50.2 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.424 ' H ' ' HD2' ' A' ' 31' ' ' ARG . 1.4 mpt_? -51.63 -50.1 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.73 ' CD1' HD21 ' A' ' 22' ' ' LEU . 2.1 t80 -41.52 -44.6 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -73.41 -33.7 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' ARG . 71.1 mm-40 -66.32 -45.09 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -40.25 63.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.17 -52.13 65.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -47.81 -37.24 13.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -53.03 -47.77 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -93.4 11.08 29.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 57.83 38.27 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.5 m -114.38 16.82 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' OE2' HD11 ' A' ' 46' ' ' LEU . 25.8 tt0 -70.06 -31.24 68.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 4.6 pt-20 -54.38 -20.43 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -63.62 -60.74 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 46' ' ' LEU . 23.2 m -66.33 -45.11 90.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.52 ' N ' HG23 ' A' ' 45' ' ' VAL . 16.9 mt -41.85 -37.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -80.44 -35.21 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.538 ' CH2' HD13 ' A' ' 23' ' ' LEU . 88.6 t90 -65.23 -52.16 56.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.72 -55.11 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.65 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.2 m -47.73 -62.73 1.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.05 -55.91 17.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -46.86 -42.45 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -56.68 -57.12 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 15.2 ptpt -61.68 -29.2 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 16.8 mtmm -63.19 -33.96 76.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.1 mtm -71.52 126.77 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -84.91 -50.03 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -52.68 128.27 25.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.415 ' CD ' ' HG3' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -70.41 -54.42 12.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.6 m -40.5 -56.56 2.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -52.68 -38.46 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.4 mtp -69.08 -43.0 75.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.415 ' HG3' ' CD ' ' A' ' 60' ' ' LYS . 99.2 mt-30 -42.61 -38.91 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -80.7 -64.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -40.15 -34.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.99 -67.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.536 ' CB ' HD13 ' A' ' 96' ' ' LEU . 2.5 ptmm? -62.89 -33.75 75.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -49.5 -58.27 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.4 mt -63.51 -48.13 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.636 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.4 t80 -57.02 -31.39 65.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.4 mmt -82.96 0.66 43.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.52 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 15.8 m -94.99 -72.35 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 1.5 m-85 -98.07 -61.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 71' ' ' TYR . 24.7 mt -37.9 -38.27 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.8 t -62.51 154.61 28.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -78.73 156.59 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.78 32.49 14.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.52 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -71.97 133.18 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 m -44.91 -25.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.0 m -151.67 109.72 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -109.51 150.29 28.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.2 m -99.38 165.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -98.59 126.18 44.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 88' ' ' GLN . 22.0 m -153.15 173.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -58.46 -54.53 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.72 85.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.539 ' HB3' HG21 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -74.64 -39.65 61.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.411 ' C ' ' N ' ' A' ' 91' ' ' LEU . 14.9 m -42.35 -27.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -45.08 -21.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.716 HD22 HD12 ' A' ' 95' ' ' ILE . 45.5 mt -81.33 161.38 23.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.822 ' O ' HG22 ' A' ' 95' ' ' ILE . 64.9 m-20 -153.75 152.48 30.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -40.14 -26.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -61.96 -46.43 89.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.822 HG22 ' O ' ' A' ' 92' ' ' ASN . 5.8 tt -46.61 -21.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.536 HD13 ' CB ' ' A' ' 68' ' ' LYS . 57.2 mt -73.89 -37.36 64.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 96' ' ' LEU . 48.3 mt-10 -34.03 -58.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 49.7 mt-10 -109.35 102.02 47.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.2 Cg_endo -69.75 127.22 14.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.486 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -154.5 148.73 19.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 5.55 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 2.5 mt -97.08 -20.29 18.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.572 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 7.9 ptm -59.48 -26.75 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 103' ' ' MET . 8.9 m-85 -116.12 -21.41 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -41.53 -51.24 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -62.82 -68.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -38.42 -45.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.446 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 44.6 tt0 -43.56 -65.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' GLN . 11.2 t70 -36.29 -58.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -44.7 -56.53 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.49 -48.42 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.463 ' CD1' HD23 ' A' ' 19' ' ' LEU . 31.2 t80 -42.25 -51.97 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.35 -45.14 56.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 tp -40.29 -68.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 120' ' ' TYR . 17.6 mtm -62.79 -18.2 62.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -65.84 -36.45 83.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.27 -5.61 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -92.54 -67.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 122' ' ' ARG . 22.1 p -97.08 -60.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 115' ' ' MET . 9.6 t80 -34.95 -43.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -41.75 99.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 119' ' ' SER . 6.2 ttp-105 -74.71 -37.74 62.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 126' ' ' SER . 35.6 t80 -50.82 -58.45 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 68.0 mt -43.64 -41.67 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -25.46 56.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 123' ' ' PHE . 22.6 t -57.98 175.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 129' ' ' PHE . 6.3 p-10 -91.85 -48.32 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 128' ' ' LEU . 1.9 tt -33.65 -34.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' ASP . 20.9 t80 -89.86 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 35.1 mt -36.24 -59.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 40.9 mttt -34.74 -54.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -72.12 -43.03 65.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.503 ' HA ' HG21 ' A' ' 12' ' ' THR . 6.7 ttpp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.47 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 69.4 p -97.94 -49.45 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.665 HG21 ' N ' ' A' ' 133' ' ' LYS . 24.7 p -54.18 -60.28 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.04 -44.77 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -58.83 -49.69 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 7.5 m0 -58.96 -49.36 78.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . . . -60.23 -41.02 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.049 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.49 -57.49 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -154.61 141.19 18.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 tp -48.84 -48.66 41.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -42.77 -52.5 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 76.9 m-20 -51.96 -36.65 50.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.448 HD21 ' CG ' ' A' ' 32' ' ' PHE . 3.2 tp -73.31 -42.49 62.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.66 HD13 ' CH2' ' A' ' 48' ' ' TRP . 40.3 mt -64.48 -46.3 83.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 13.6 pt-20 -58.33 -42.81 87.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.1 m-20 -73.01 134.81 80.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.611 0.72 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.89 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -55.06 -45.0 75.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.4 -57.17 21.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.708 HG12 ' HE ' ' A' ' 33' ' ' ARG . 78.7 t -42.09 -44.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -52.79 -61.29 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -51.63 -46.23 63.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.4 t80 -53.04 -57.17 11.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.708 ' HE ' HG12 ' A' ' 29' ' ' VAL . 37.8 mtm180 -46.42 -63.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' ARG . 2.9 mm-40 -32.86 -59.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -51.71 -67.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.641 HD22 HD21 ' A' ' 44' ' ' ASN . 74.7 mt -45.85 -58.76 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -37.55 -40.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -50.09 -45.51 52.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' OE1' ' NH2' ' A' ' 122' ' ' ARG . 8.6 pt-20 -95.05 13.55 24.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 53.04 44.9 29.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 33.7 m -116.82 -13.67 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.714 ' OE2' HD21 ' A' ' 46' ' ' LEU . 25.7 tt0 -39.72 -37.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 19.3 pm0 -36.7 -27.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.641 HD21 HD22 ' A' ' 36' ' ' LEU . 1.3 p30 -61.1 -59.87 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 42' ' ' GLU . 29.8 m -65.02 -39.65 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.714 HD21 ' OE2' ' A' ' 42' ' ' GLU . 95.3 mt -53.63 -38.08 63.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 2.2 t80 -83.74 -39.67 19.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.66 ' CH2' HD13 ' A' ' 23' ' ' LEU . 76.5 t90 -56.75 -52.24 65.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' CZ3' ' A' ' 48' ' ' TRP . 4.8 mt -55.47 -43.31 75.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.6 71.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.4 m -48.85 -62.66 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 11.6 mm-40 -52.67 -61.5 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -40.61 -44.47 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 55.6 t80 -54.03 -63.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 16.8 ptpt -55.5 -35.42 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 29.2 mtpp -57.8 -44.29 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 63.8 mtm -58.41 130.98 49.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -87.76 -44.75 10.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -53.58 136.67 38.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -78.64 -51.41 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.3 m -43.86 -58.08 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.7 -42.4 62.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.449 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 40.5 mtp -60.51 -44.95 95.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -48.94 -42.85 38.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 40.7 mt-10 -77.88 -55.27 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -50.64 -32.92 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.34 -68.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.498 ' HA ' HD22 ' A' ' 96' ' ' LEU . 14.5 ptmt -56.66 -42.41 78.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.91 -59.51 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.7 mt -57.15 -49.61 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -53.51 -44.48 69.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.463 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 97.3 mmm -68.07 -2.23 7.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 m -94.24 -69.26 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 2.3 m-85 -100.81 -36.13 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.901 HD13 ' CD1' ' A' ' 91' ' ' LEU . 15.7 mt -76.49 17.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 2.3 t -120.38 170.16 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.5 m -82.55 153.57 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.13 37.07 11.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 82' ' ' GLN . . . -91.77 116.84 29.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -68.56 -43.65 76.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.451 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -89.07 17.89 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.55 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 6.4 tt0 -54.29 113.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.33 175.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -118.11 113.02 20.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.444 ' HB ' ' NE2' ' A' ' 110' ' ' GLN . 35.2 m -149.8 164.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -96.05 122.09 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.79 44.59 14.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 90' ' ' ARG . 1.7 tm0? -73.16 -54.63 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' ARG . 42.7 t -44.62 -21.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 88' ' ' GLN . 17.0 ttm180 -37.52 -33.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.901 ' CD1' HD13 ' A' ' 75' ' ' LEU . 1.5 pt? -92.16 159.73 15.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.606 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.5 m120 -151.85 159.68 43.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 92' ' ' ASN . 2.4 mp0 -31.91 -38.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 92' ' ' ASN . 46.7 mmtt -49.89 -49.18 50.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 92' ' ' ASN . 13.0 tt -42.48 -24.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 68' ' ' LYS . 44.1 mt -73.71 -38.76 64.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' LYS . 52.1 mt-10 -33.04 -59.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 5.8 pt-20 -111.35 102.03 52.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.68 0.752 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.0 Cg_endo -69.75 131.77 21.94 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.23 148.06 16.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 0.0 110.832 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.456 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 52.9 Cg_endo -69.84 18.12 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.1 mt -112.43 -27.92 8.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.51 ' HB2' HD11 ' A' ' 95' ' ' ILE . 7.8 ptm -47.77 -43.37 27.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' GLN . 9.2 m-85 -96.3 -36.93 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 104' ' ' PHE . 19.5 tm0? -33.37 -44.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -63.19 -62.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 108' ' ' GLN . 15.3 mt -53.32 -52.01 60.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.537 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 62.0 tt0 -38.04 -53.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -41.62 -45.97 3.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.444 ' NE2' ' HB ' ' A' ' 85' ' ' VAL . 26.9 mt-30 -60.36 -61.05 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.438 ' N ' ' CD1' ' A' ' 111' ' ' ILE . 0.4 OUTLIER -52.26 -56.82 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' ILE . 89.7 t80 -37.4 -40.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.568 ' OD1' ' CD1' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -81.55 -43.75 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 113' ' ' ASN . 14.4 tp -36.01 -60.21 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.425 ' SD ' HG23 ' A' ' 111' ' ' ILE . 2.0 mpp? -66.59 -40.29 88.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 120' ' ' TYR . 19.5 ttpt -47.34 -23.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.568 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 25.0 m-85 -117.91 -30.33 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.64 -69.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 121' ' ' SER . 32.6 p -90.55 -59.09 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.507 ' CB ' ' HA ' ' A' ' 116' ' ' LYS . 56.9 t80 -34.59 -30.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 119' ' ' SER . 3.7 m -77.73 -68.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.448 ' NH2' ' OE1' ' A' ' 39' ' ' GLU . 14.6 ptt180 -63.15 -49.06 75.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -39.87 -54.0 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.0 mt -54.15 -44.42 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -70.58 -29.04 65.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 m -62.8 176.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.0 OUTLIER -82.55 -43.51 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.0 mt -33.43 -37.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 16' ' ' ALA . 26.3 t80 -98.0 -67.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' PHE . 12.3 mt -37.61 -46.92 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -60.03 3.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -55.31 -57.12 13.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.665 ' N ' HG21 ' A' ' 12' ' ' THR . 27.8 tttp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -114.99 118.97 34.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.896 0.379 . . . . 0.0 110.803 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -117.46 138.33 51.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.824 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.58 -98.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -144.95 144.01 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -77.58 149.84 34.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.66 -46.05 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.9 p -55.63 -28.33 54.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -62.53 146.37 51.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.577 ' N ' HD13 ' A' ' 9' ' ' LEU . 5.4 mptt -54.14 106.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 m -90.24 -54.12 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -39.11 -45.28 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.2 69.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -60.01 -57.56 12.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.437 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 11.4 m0 -54.02 -43.63 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HA ' HD21 ' A' ' 124' ' ' LEU . . . -62.9 -43.9 97.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.98 -57.98 7.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 m -151.34 135.5 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.545 HD23 ' CE1' ' A' ' 112' ' ' PHE . 50.0 tp -47.3 -40.71 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -49.75 -44.21 48.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -58.03 -31.85 67.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 32' ' ' PHE . 5.6 tp -78.27 -39.89 38.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.548 HD13 ' CH2' ' A' ' 48' ' ' TRP . 34.5 mt -68.53 -44.38 74.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 14.6 pt-20 -62.59 -39.79 94.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 33.8 m-20 -76.97 145.17 73.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -44.27 2.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.01 -45.83 86.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' CA ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.14 -50.12 66.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.43 -42.05 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -55.96 -49.55 73.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -73.33 -58.84 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.455 ' HB2' HD21 ' A' ' 22' ' ' LEU . 8.3 t80 -38.78 -49.26 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -53.08 -59.21 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -43.73 -51.45 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.517 ' HB2' HD22 ' A' ' 128' ' ' LEU . 4.1 t80 -52.86 -47.59 67.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' A' ' 42' ' ' GLU . 77.7 mt -67.49 -61.1 2.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -34.14 -36.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.1 mtpt -43.84 -57.74 3.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -93.29 16.0 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 54.04 45.08 28.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 m -114.0 -10.93 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.697 ' O ' HG22 ' A' ' 45' ' ' VAL . 8.5 pm0 -45.08 -32.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' OE2' ' C ' ' A' ' 81' ' ' SER . 8.5 pt-20 -38.48 -26.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.59 ' HA ' HG12 ' A' ' 83' ' ' VAL . 71.0 m-20 -62.16 -53.32 56.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 42' ' ' GLU . 26.9 m -65.34 -29.92 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.49 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.556 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 12.4 t80 -81.33 -39.84 24.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.548 ' CH2' HD13 ' A' ' 23' ' ' LEU . 85.5 t90 -60.81 -50.22 74.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 mt -53.26 -50.43 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . -50.73 -52.82 36.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 108' ' ' GLN . 82.3 m -35.7 -54.12 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.45 -63.22 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.28 -44.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 83.7 t80 -52.25 -59.46 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 9.7 ptpt -62.02 -33.27 74.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 31.3 mtpt -59.03 -58.52 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' LYS . 54.1 mtm -35.58 -40.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 53.36 38.43 27.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.935 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 63' ' ' MET . 8.0 m-20 -127.14 132.42 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -66.48 -59.36 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.0 m -51.06 -63.13 1.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -49.78 -40.62 42.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 5.2 mtt -63.95 -48.12 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -42.22 -38.09 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -81.48 -68.7 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -39.17 -37.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.9 -68.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HA ' HD22 ' A' ' 96' ' ' LEU . 12.9 pttp -62.7 -35.6 80.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -52.41 -62.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.1 mt -59.67 -44.8 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.558 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.3 t80 -54.57 -45.6 73.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mmm -75.65 2.83 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.408 HG22 ' CE1' ' A' ' 74' ' ' PHE . 25.5 m -92.27 -59.56 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -118.04 -28.98 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.59 HD13 HD22 ' A' ' 91' ' ' LEU . 21.2 mt -80.61 18.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -109.3 161.17 15.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.2 t -73.27 -45.24 56.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -82.88 17.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.86 112.75 3.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -59.12 -30.2 67.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.449 ' C ' ' OE2' ' A' ' 43' ' ' GLU . 2.2 m -128.05 101.99 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -105.45 115.23 29.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 44' ' ' ASN . 19.8 m -55.72 165.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.554 ' O ' HD22 ' A' ' 114' ' ' LEU . 44.8 t-20 -97.07 128.68 44.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 84' ' ' ASN . 17.0 m -156.58 173.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -75.1 -45.74 39.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.95 68.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 10.7 pt20 -90.19 17.57 6.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.8 m -80.37 -8.47 59.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -48.81 -31.33 6.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 75' ' ' LEU . 3.6 pp -68.07 171.33 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.716 ' O ' HG22 ' A' ' 95' ' ' ILE . 2.3 t-20 -167.78 167.74 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -37.7 -26.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 92' ' ' ASN . 48.1 mmtt -65.29 -46.39 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 92' ' ' ASN . 8.4 tt -45.12 -23.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' GLU . 34.0 mt -78.51 -35.08 46.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' LEU . 13.9 mt-10 -33.38 -67.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.1 pm0 -106.91 102.03 40.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.727 . . . . 0.0 110.825 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.2 Cg_endo -69.84 130.12 18.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 0.0 112.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.479 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.52 148.55 19.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.576 0.703 . . . . 0.0 110.851 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 53.8 Cg_endo -69.82 18.85 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.5 mt -113.91 -17.78 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.54 ' HB2' HD11 ' A' ' 95' ' ' ILE . 8.3 ptm -65.43 -38.17 89.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.574 ' HD1' HD12 ' A' ' 107' ' ' LEU . 25.2 m-85 -100.55 -37.63 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 104' ' ' PHE . 2.2 tp-100 -32.0 -48.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -72.22 -53.61 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.574 HD12 ' HD1' ' A' ' 104' ' ' PHE . 50.8 mt -50.23 -31.63 14.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.493 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 30.3 tt0 -75.91 -34.46 59.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.38 -56.71 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -55.3 -56.57 18.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.1 mm -47.37 -41.95 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.57 ' CE2' ' HD2' ' A' ' 116' ' ' LYS . 23.1 t80 -53.51 -52.38 59.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -37.54 87.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 84' ' ' ASN . 10.8 tp -54.53 -59.84 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 120' ' ' TYR . 49.9 mtm -65.92 -29.51 69.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.838 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.57 ' HD2' ' CE2' ' A' ' 112' ' ' PHE . 3.2 mtpm? -54.37 -35.08 62.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -116.77 -15.57 10.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 29.1 t70 -85.64 -63.58 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 120' ' ' TYR . 14.3 m -95.32 -62.99 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 115' ' ' MET . 30.5 t80 -35.6 -65.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 120' ' ' TYR . 1.7 m -37.18 -52.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.432 ' HG2' ' NZ ' ' A' ' 125' ' ' LYS . 33.5 mtm180 -65.47 -52.14 55.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.511 ' HE1' HD23 ' A' ' 128' ' ' LEU . 68.6 t80 -38.19 -44.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 16' ' ' ALA . 87.8 mt -62.9 -53.56 52.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.432 ' NZ ' ' HG2' ' A' ' 122' ' ' ARG . 10.5 pttm -81.58 15.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.2 m -100.75 154.36 18.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -60.29 -45.6 92.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.517 HD22 ' HB2' ' A' ' 35' ' ' PHE . 10.2 tp -40.15 -40.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -93.14 -56.16 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 131' ' ' LYS . 29.4 mt -43.93 -57.87 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 130' ' ' LEU . 17.4 mmtp -34.11 -54.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.471 ' HA ' HG22 ' A' ' 135' ' ' THR . 7.2 t60 -66.14 -43.58 86.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 130' ' ' LEU . 40.3 tttp -56.97 -34.26 67.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -77.58 -63.52 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 132' ' ' HIS . 12.6 t -49.98 -27.74 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.57 -59.61 4.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -132.1 137.79 47.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.46 172.57 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 1.1 pm0 -86.86 163.78 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -106.57 135.94 47.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.14 13.46 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 61.0 mt -85.62 152.19 56.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.569 0.7 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.29 2.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 54.5 p -66.55 117.35 8.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -119.11 -164.72 12.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 87.19 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.7 m -48.53 -53.16 19.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.2 t 57.06 41.81 26.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 59.79 42.96 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -84.38 150.98 24.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.58 -112.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.7 p -94.7 -47.33 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -108.48 148.78 29.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.44 91.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 m -105.28 166.06 10.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -91.59 -31.09 16.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -60.29 125.93 25.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 p -57.39 -47.71 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 p -43.24 -54.34 4.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.81 -42.09 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -63.92 -58.24 7.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -53.04 -52.34 58.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.32 77.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.49 -51.05 21.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.8 m -159.64 152.37 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 112' ' ' PHE . 20.7 tp -57.92 -44.53 86.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -45.71 -59.05 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 58.3 m-20 -40.58 -34.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' A' ' 32' ' ' PHE . 6.5 tp -72.48 -44.49 62.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.65 -46.57 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -60.86 -46.15 91.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.494 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 43.0 m-20 -72.44 143.34 85.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -50.4 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -50.76 -41.72 56.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.16 -63.89 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -38.25 -52.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' N ' ' HE3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -53.69 -56.92 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' PHE . 20.3 mmt-85 -59.83 -64.39 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.741 ' HB2' HD21 ' A' ' 22' ' ' LEU . 8.8 t80 -37.86 -54.79 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' GLU . 35.3 mtt180 -45.64 -66.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' ARG . 1.6 mm-40 -34.25 -58.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.588 ' CZ ' ' OE2' ' A' ' 39' ' ' GLU . 2.1 t80 -54.99 -45.08 74.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.74 HD11 ' CE2' ' A' ' 32' ' ' PHE . 84.0 mt -62.21 -60.05 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.3 ttmm -36.02 -52.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -46.67 -60.13 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.588 ' OE2' ' CZ ' ' A' ' 35' ' ' PHE . 9.3 pt-20 -75.41 6.5 4.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 63.14 41.6 7.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -111.96 -7.08 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.738 ' OE2' HD11 ' A' ' 46' ' ' LEU . 9.0 tt0 -53.75 -50.76 65.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.956 ' HA ' HD12 ' A' ' 46' ' ' LEU . 14.8 pm0 -40.34 -29.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -60.62 -60.17 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 42' ' ' GLU . 22.3 m -63.14 -35.15 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.956 HD12 ' HA ' ' A' ' 43' ' ' GLU . 84.6 mt -51.82 -40.65 60.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 23.1 t80 -79.88 -49.82 11.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.506 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 44.6 t90 -52.16 -40.5 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.36 -51.54 59.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.68 -27.75 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.0 m -66.7 -66.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.12 -24.75 11.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -81.41 -33.74 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -68.89 -24.06 64.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 3.6 ptpp? -95.57 -30.96 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 57' ' ' MET . 7.5 ptpt -59.28 -33.07 70.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.503 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 31.2 mtm -61.2 146.13 48.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -97.24 -47.95 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -56.6 140.69 45.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -82.91 -48.42 10.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.0 m -46.59 -56.2 6.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -50.25 -36.23 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.8 mtp -70.76 -41.95 71.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -46.95 -42.07 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -78.77 -60.19 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -48.41 -28.48 3.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.5 -66.69 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.535 ' HA ' HD22 ' A' ' 96' ' ' LEU . 14.6 pttt -65.37 -34.28 77.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -48.03 -66.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.4 mt -55.62 -37.04 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.738 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -60.14 -42.84 95.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 94.2 mmm -74.95 8.05 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.0 m -98.05 -68.46 0.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -111.55 -29.73 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.832 HD13 HD11 ' A' ' 91' ' ' LEU . 19.8 mt -75.37 10.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.9 OUTLIER -118.63 177.14 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.1 m -91.85 157.44 16.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp 62.07 34.53 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.77 113.39 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.1 m -62.97 -38.61 91.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.2 p -87.01 17.05 4.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.01 122.43 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.49 173.91 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -104.87 117.23 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.419 HG11 HE21 ' A' ' 110' ' ' GLN . 22.7 m -151.14 146.93 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -41.86 -58.22 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.95 110.51 1.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.65 167.06 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.4 m 63.29 32.05 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 mmm-85 -88.88 -32.01 17.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.832 HD11 HD13 ' A' ' 75' ' ' LEU . 1.3 pt? -71.72 125.34 26.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.875 ' O ' HG22 ' A' ' 95' ' ' ILE . 62.4 m-80 -73.7 169.32 17.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.86 -29.68 70.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -35.5 53.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.875 HG22 ' O ' ' A' ' 92' ' ' ASN . 4.4 tt -49.22 -21.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 68' ' ' LYS . 57.9 mt -75.47 -33.18 60.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -41.75 -64.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.432 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 9.9 pt-20 -105.16 102.02 33.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.646 0.736 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.0 Cg_endo -69.76 133.23 25.07 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.78 151.67 21.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 6.58 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.504 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 7.5 mt -110.39 17.97 20.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.716 ' HB2' HD11 ' A' ' 95' ' ' ILE . 11.4 ptm -93.29 -43.65 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 6.2 m-85 -100.28 -37.59 8.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 104' ' ' PHE . 4.2 tt0 -34.28 -48.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -44.43 -61.52 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.42 -40.5 91.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.506 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 37.9 tt0 -51.08 -19.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.96 -59.85 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.419 HE21 HG11 ' A' ' 85' ' ' VAL . 11.6 pt20 -60.59 -37.45 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.9 mm -63.37 -37.13 78.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.427 ' CE1' HD23 ' A' ' 19' ' ' LEU . 20.7 t80 -55.69 -62.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -64.68 -36.0 82.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 tp -41.67 -64.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 120' ' ' TYR . 36.4 mtm -69.85 -24.23 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -56.64 -30.71 63.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -115.82 -14.14 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -93.71 -56.76 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 120' ' ' TYR . 31.8 m -95.41 -67.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 123' ' ' PHE . 68.4 t80 -36.24 -67.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.9 t -39.51 -35.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.437 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 13.8 ttm180 -84.4 -33.42 23.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 120' ' ' TYR . 52.5 t80 -53.18 -52.12 59.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.9 mt -49.94 -35.9 25.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -76.06 -37.99 57.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.6 m -54.65 168.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -80.3 -44.66 19.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 127' ' ' ASP . 9.4 tp -33.6 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 127' ' ' ASP . 50.0 t80 -91.03 -67.9 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 131' ' ' LYS . 91.5 mt -36.14 -45.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -34.16 -59.7 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.403 ' HA ' HG22 ' A' ' 135' ' ' THR . 3.2 t-160 -66.8 -46.93 73.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.416 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 25.4 tttt -54.26 -19.17 4.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -89.9 -63.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 132' ' ' HIS . 6.9 t -51.72 -27.68 12.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -52.22 -55.52 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -101.62 155.96 17.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -104.93 130.71 53.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.8 176.99 4.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -114.14 121.93 45.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.66 5.63 12.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.53 153.08 78.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 134.4 27.83 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.8 p -70.37 -39.14 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -167.39 -105.83 0.19 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.5 m -167.16 166.32 15.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.8 m -135.17 109.15 8.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -91.99 -44.94 8.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -101.41 111.81 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.53 -177.13 26.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.7 m -141.58 172.96 11.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -58.07 110.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.11 -39.06 2.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.3 m -71.85 -37.89 70.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 tp -142.89 151.59 41.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -76.42 157.88 31.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.9 p -97.77 -40.96 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -52.14 -50.93 60.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.6 -41.6 42.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -64.01 -51.93 61.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CZ2' ' HA2' ' A' ' 28' ' ' GLY . 20.1 m0 -57.83 -55.82 29.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.87 -38.09 61.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.9 38.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.9 p -157.92 140.4 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 25.4 tp -48.49 -46.15 37.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -44.2 -52.85 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.498 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 92.3 m-20 -49.04 -36.06 17.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.572 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.2 tp -70.67 -36.99 73.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.494 HD13 ' CH2' ' A' ' 48' ' ' TRP . 32.5 mt -73.56 -45.41 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 3.0 pp20? -63.6 -45.44 90.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.5 t0 -66.75 130.61 94.01 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.0 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.72 -35.04 73.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.557 ' HA2' ' CZ2' ' A' ' 15' ' ' TRP . . . -69.51 -54.33 13.28 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 25' ' ' ASP . 88.2 t -44.41 -42.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -46.25 -60.13 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.447 ' C ' HD21 ' A' ' 128' ' ' LEU . 2.9 mpt_? -55.4 -60.0 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CD1' HD21 ' A' ' 22' ' ' LEU . 3.2 t80 -36.48 -62.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -45.97 -50.45 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -54.78 -54.32 43.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -55.01 -43.64 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' LYS . 81.2 mt -61.77 -57.46 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -35.23 -37.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -43.68 -52.64 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -102.31 17.98 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 59.71 44.92 13.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 10.6 p -107.39 -12.48 15.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.745 ' O ' HG22 ' A' ' 45' ' ' VAL . 27.1 tt0 -39.58 -60.07 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.1 tp10 -34.77 -37.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 41' ' ' SER . 10.3 m-20 -43.47 -49.18 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 42' ' ' GLU . 27.6 m -75.29 -30.7 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 43' ' ' GLU . 31.1 mt -58.69 -36.99 75.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.562 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 23.5 t80 -83.32 -38.91 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.494 ' CH2' HD13 ' A' ' 23' ' ' LEU . 63.7 t90 -63.23 -52.98 60.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.39 -46.01 69.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.95 -48.1 61.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.8 m -49.85 -50.98 43.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 6.0 tm-20 -59.4 -62.61 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -48.96 -34.68 13.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -62.67 -60.2 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 13.1 ptpt -53.77 -33.29 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 53.2 mtpt -56.45 -42.74 78.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.6 mtm -56.84 133.02 54.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -96.26 -43.37 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -53.39 127.73 25.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -67.05 -54.15 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 m -48.73 -61.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -45.37 -38.62 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 54.5 mtp -66.89 -44.33 81.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.496 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 30.9 mt-30 -43.54 -49.39 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.415 ' HA ' ' CE ' ' A' ' 68' ' ' LYS . 15.6 mt-10 -64.97 -66.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -45.22 -26.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -56.9 -69.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.8 -30.79 71.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 10.3 mt-10 -50.35 -57.53 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.0 mt -71.65 -41.36 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.667 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -57.96 -31.15 66.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mmt -84.64 -6.29 59.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 52.8 m -91.62 -68.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -97.99 -66.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.759 HD11 ' CE1' ' A' ' 104' ' ' PHE . 34.0 mt -34.73 -45.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 t -52.41 123.18 10.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -57.93 -26.56 62.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -80.15 13.99 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 73' ' ' THR . . . -87.34 141.91 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.4 t -93.61 -38.96 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.405 ' HB2' ' OE2' ' A' ' 43' ' ' GLU . 14.7 m -82.27 17.34 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -51.96 118.84 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -57.11 156.62 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -71.51 115.04 10.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 88' ' ' GLN . 9.6 m -151.35 143.61 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -46.23 -48.94 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.45 79.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.527 ' CG ' HG21 ' A' ' 85' ' ' VAL . 3.8 pt20 -81.45 -41.77 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 88' ' ' GLN . 30.9 t -40.24 -24.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 88' ' ' GLN . 18.8 ttt180 -38.57 -32.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -57.0 159.39 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.619 ' O ' HG22 ' A' ' 95' ' ' ILE . 82.6 m-20 -113.82 -179.05 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -86.24 -20.48 28.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -57.19 -37.79 72.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.878 HD11 ' HB2' ' A' ' 103' ' ' MET . 0.7 OUTLIER -51.89 -40.73 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLU . 65.0 mt -51.21 -43.82 61.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' LEU . 27.8 mt-10 -34.55 -65.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.01 102.89 45.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 140.71 43.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.322 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.84 148.49 17.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 110.878 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 13.99 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.37 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 8.7 mt -110.74 -12.68 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.878 ' HB2' HD11 ' A' ' 95' ' ' ILE . 7.3 ptm -62.83 -51.34 67.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.759 ' CE1' HD11 ' A' ' 75' ' ' LEU . 2.4 m-85 -102.89 17.74 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -71.48 -47.09 57.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -72.8 -54.96 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 104' ' ' PHE . 6.1 mt -48.06 -35.31 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.485 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 52.5 tt0 -68.36 -35.58 77.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -63.03 -62.77 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -46.0 -47.36 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.0 -38.95 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -49.32 -57.5 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 114' ' ' LEU . 18.5 m-80 -65.25 -46.97 78.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 12.6 tp -35.35 -58.89 0.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 120' ' ' TYR . 51.6 mtm -73.48 -29.19 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 113' ' ' ASN . 28.7 tttm -52.58 -31.54 36.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -117.44 -24.72 7.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 26.1 t0 -79.83 -57.42 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 120' ' ' TYR . 19.5 m -96.39 -67.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 115' ' ' MET . 37.8 t80 -32.92 -50.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.4 t -54.97 -57.01 13.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 123' ' ' PHE . 43.4 mmm-85 -60.52 -54.05 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' A' ' 122' ' ' ARG . 22.0 t80 -32.54 -61.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 47.2 mt -44.41 -56.07 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -43.92 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.1 t -54.9 150.82 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -58.53 -44.26 89.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.447 HD21 ' C ' ' A' ' 31' ' ' ARG . 63.2 tp -34.97 -33.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 127' ' ' ASP . 60.9 t80 -96.34 -59.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 131' ' ' LYS . 56.1 mt -45.89 -53.1 10.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 130' ' ' LEU . 13.1 mmmt -34.32 -61.22 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -62.48 -40.57 97.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -53.8 -59.3 4.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.479 ' CZ ' ' HA ' ' A' ' 134' ' ' ARG . 2.4 mmp_? -42.77 -46.49 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.6 m -41.9 -41.59 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -70.66 170.57 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -95.14 176.46 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -82.02 124.0 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -111.04 157.74 19.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.16 125.93 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 141' ' ' ASP . 15.5 t0 -85.97 16.12 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 34.4 mt -96.54 140.16 22.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -33.56 16.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 96.2 p -83.91 167.48 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 162.54 -119.61 0.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 109.04 2.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.1 t -92.18 132.13 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.2 p -63.13 -49.38 74.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -49.18 -58.8 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.4 p -133.96 141.3 47.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.84 -125.29 2.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -85.79 166.7 15.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.883 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -87.16 164.33 16.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.93 91.28 0.41 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.9 p -65.08 -38.44 90.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.442 ' C ' HD12 ' A' ' 9' ' ' LEU . 4.6 pp -70.47 176.66 3.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -113.6 151.53 31.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.51 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 4.5 m -85.63 -57.81 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.9 p -38.83 -25.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' SER . . . -63.65 -66.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.591 ' HG3' ' CD1' ' A' ' 15' ' ' TRP . 4.6 pttm -48.98 -34.64 13.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.591 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 10.2 m0 -76.43 -40.97 49.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.12 -36.91 81.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.69 -60.38 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.9 m -151.99 171.07 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.648 HD23 ' CE1' ' A' ' 112' ' ' PHE . 24.1 tp -73.54 -38.51 65.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.26 -45.61 45.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 28.6 m-20 -64.76 -21.99 66.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.699 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.5 tp -85.57 -47.08 10.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.497 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 44.8 mt -67.25 -40.35 86.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 12.5 pt-20 -60.62 -45.78 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 7.1 m-20 -81.83 143.43 50.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.722 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.258 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -56.06 -36.32 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.21 -52.31 32.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 23' ' ' LEU . 72.6 t -48.56 -51.11 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -53.86 -55.3 27.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HA ' ' CD ' ' A' ' 34' ' ' GLU . 27.5 mmm-85 -60.74 -12.25 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.699 ' CD1' HD21 ' A' ' 22' ' ' LEU . 37.5 t80 -87.87 -35.27 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' GLU . 54.0 mtp180 -72.43 -43.91 63.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.541 ' CG ' HD21 ' A' ' 128' ' ' LEU . 1.9 pt-20 -37.39 -51.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -69.07 -54.23 16.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.1 mt -43.13 -49.27 6.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -49.62 -39.63 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -48.43 -51.9 24.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -95.53 13.71 25.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 55.64 42.51 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -109.9 10.13 24.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -55.42 -31.96 62.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.651 ' HA ' HD12 ' A' ' 46' ' ' LEU . 7.5 pt-20 -58.37 -17.57 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -61.24 -65.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.54 -35.97 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 43' ' ' GLU . 30.0 mt -48.86 -40.26 28.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 6.5 t80 -79.25 -37.39 38.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.497 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 87.4 t90 -61.12 -52.81 63.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 31.1 mt -49.8 -56.49 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -36.1 -55.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 58.1 m -46.07 -67.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 8.9 mm-40 -44.88 -35.66 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.17 -35.08 61.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 35.1 t80 -65.44 -49.76 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' CD ' ' HA ' ' A' ' 52' ' ' GLU . 1.4 ptmm? -63.02 -31.66 72.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -60.45 -37.9 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.9 mtm -66.82 134.01 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -97.4 -47.03 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -53.27 137.96 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 63' ' ' MET . 47.1 tttt -74.51 -60.17 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.6 m -36.49 -57.46 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -52.59 -41.76 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.472 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 4.5 mtt -66.57 -47.8 71.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -39.42 -41.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -75.47 -67.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HG3' ' CD1' ' A' ' 70' ' ' ILE . 32.7 tptt -40.55 -34.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.47 -67.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.633 ' HB3' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -67.28 -31.89 72.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -53.1 -53.92 43.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 48.1 mt -69.94 -37.24 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.783 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.5 t80 -64.03 -19.16 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.425 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 6.8 mmt -101.23 9.08 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.695 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 44.3 m -97.98 -61.49 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.695 ' CE1' ' CG2' ' A' ' 73' ' ' THR . 3.2 m-85 -117.82 -37.97 3.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 71' ' ' TYR . 45.8 mt -57.89 -42.19 84.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.425 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 12.8 t -58.09 158.31 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.4 m -77.78 -44.83 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -72.37 2.42 6.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -54.69 121.34 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m -54.57 -26.14 30.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -136.46 102.16 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.46 ' OE1' ' CD ' ' A' ' 88' ' ' GLN . 9.1 tt0 -107.88 109.36 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.8 m -56.57 177.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.491 ' O ' HG13 ' A' ' 85' ' ' VAL . 4.9 t30 -113.48 138.4 50.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 84' ' ' ASN . 13.2 m -157.94 139.71 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -44.69 -33.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.11 71.43 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.46 ' CD ' ' OE1' ' A' ' 82' ' ' GLN . 12.3 tm0? -91.1 159.73 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.6 m 60.68 46.09 9.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -111.66 -29.51 7.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.868 HD22 HD12 ' A' ' 95' ' ' ILE . 52.5 mt -75.83 155.14 35.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.623 ' O ' HG22 ' A' ' 95' ' ' ILE . 56.9 m-20 -138.16 154.54 49.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -43.3 -23.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 92' ' ' ASN . 2.9 mppt? -63.6 -43.19 97.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.868 HD12 HD22 ' A' ' 91' ' ' LEU . 11.1 tt -45.71 -23.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 68' ' ' LYS . 47.9 mt -72.42 -37.28 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 96' ' ' LEU . 17.3 mt-10 -34.25 -49.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -121.41 102.02 43.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 123.81 10.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.369 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -151.39 150.06 25.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.547 0.689 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 9.9 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 2.1 mt -107.63 -13.52 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 8.2 ptm -60.92 -38.9 87.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 103' ' ' MET . 6.0 m-85 -102.87 -33.31 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 104' ' ' PHE . 32.5 tp60 -32.11 -53.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 -59.74 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.511 ' CD1' ' CD2' ' A' ' 75' ' ' LEU . 14.2 mt -57.3 -42.77 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.414 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 53.1 tt0 -46.94 -64.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -38.52 -55.61 1.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -48.82 -60.5 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.409 HG22 ' HE1' ' A' ' 115' ' ' MET . 28.8 mm -53.8 -42.72 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.648 ' CE1' HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -44.46 -61.56 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -66.07 -44.36 84.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 10.4 tp -38.38 -59.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' TYR . 30.9 mtm -68.37 -34.78 76.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -55.09 -29.47 57.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -114.68 -16.17 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 35.1 t0 -93.37 -61.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' TYR . 44.6 t -89.84 -67.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' SER . 50.7 t80 -33.69 -55.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.5 t -52.33 -62.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 123' ' ' PHE . 62.9 mtp85 -56.89 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' A' ' 122' ' ' ARG . 6.5 t80 -33.59 -59.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.0 mt -44.78 -63.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.766 ' O ' HD12 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -52.68 -43.11 65.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -55.21 143.1 28.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.7 p-10 -48.14 -39.49 20.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.541 HD21 ' CG ' ' A' ' 34' ' ' GLU . 15.6 tp -34.14 -46.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -93.77 -51.89 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 125' ' ' LYS . 12.6 mt -52.6 -59.79 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -47.07 -60.51 2.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -51.34 -43.9 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -57.73 -46.03 85.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 136' ' ' GLU . 21.8 ttp180 -70.51 -60.39 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.603 HG23 ' CD1' ' A' ' 142' ' ' LEU . 88.6 m -34.45 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.5 tp10 -72.67 -56.93 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -70.44 -6.01 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -78.76 167.11 21.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.94 153.12 41.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.06 177.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.44 38.58 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.603 ' CD1' HG23 ' A' ' 135' ' ' THR . 72.6 mt -63.7 155.62 75.72 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.587 0.708 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -34.26 14.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 30.8 t -86.7 120.42 27.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -41.52 126.1 3.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 86.1 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.312 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.3 m 56.5 45.62 22.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -7.49 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -68.86 168.8 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -135.72 168.32 19.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.03 -36.89 52.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 6' ' ' SER . 48.5 p -40.11 -55.67 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' SER . 68.2 p -37.95 -39.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.66 -115.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -91.57 124.83 36.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -58.8 -42.65 89.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -73.18 123.52 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.4 m -90.54 -57.05 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.463 HG21 ' HA ' ' A' ' 133' ' ' LYS . 67.7 p -38.73 -52.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.48 -43.8 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -58.99 -51.63 69.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -59.39 -46.2 89.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.15 94.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.74 -57.91 7.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LEU . 4.7 t -155.72 134.57 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.61 HD23 ' CE1' ' A' ' 112' ' ' PHE . 46.6 tp -37.44 -53.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -36.0 -62.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 6.6 m-20 -39.15 -39.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 32' ' ' PHE . 5.3 tp -69.7 -38.02 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.515 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 50.2 mt -72.95 -45.9 55.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 2.9 pp20? -63.74 -40.08 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.2 t70 -77.28 141.2 66.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.0 Cg_endo -69.73 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.236 . . . . 0.0 112.391 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -51.36 -42.9 61.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.8 -59.67 8.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 25' ' ' ASP . 92.6 t -42.67 -45.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.09 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -53.43 -54.73 32.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -63.68 -47.81 79.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.455 ' HB2' HD21 ' A' ' 22' ' ' LEU . 2.9 t80 -50.42 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HB3' ' CD ' ' A' ' 42' ' ' GLU . 33.7 mtp180 -38.01 -57.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -44.75 -51.88 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -51.94 -53.31 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 41' ' ' SER . 83.6 mt -57.21 -48.04 79.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -42.99 -38.23 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -39.92 15.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' HG3' ' HB2' ' A' ' 41' ' ' SER . 4.9 pt-20 -111.18 9.33 21.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 62.88 44.16 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.476 ' OG ' ' ND2' ' A' ' 44' ' ' ASN . 6.7 t -117.96 17.94 14.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.838 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' CD ' ' HB3' ' A' ' 33' ' ' ARG . 38.3 tt0 -71.71 3.42 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' HA ' HD12 ' A' ' 46' ' ' LEU . 5.6 tp10 -82.05 -45.62 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.476 ' ND2' ' OG ' ' A' ' 41' ' ' SER . 13.4 p30 -46.18 -40.81 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.459 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 14.5 m -76.31 -30.99 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 43' ' ' GLU . 42.0 mt -65.8 -40.0 91.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -79.81 -40.43 28.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.515 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 79.3 t90 -56.64 -55.23 36.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.427 HD23 ' HZ3' ' A' ' 48' ' ' TRP . 7.2 mt -54.75 -53.43 55.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' ASP . . . -38.84 -53.22 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 69.5 m -39.49 -61.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 71.3 mm-40 -50.87 -33.04 22.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 56' ' ' LYS . 2.2 m-20 -73.87 -58.69 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.4 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 82.4 t80 -40.45 -33.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 14.6 ptpt -84.05 -31.04 25.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.8 ptpp? -66.06 -34.02 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.498 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 75.4 mtm -54.33 -42.25 69.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 52.92 37.29 24.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' MET . 1.2 m-20 -130.56 137.52 49.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -74.22 -54.93 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.8 m -55.16 -55.37 31.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -57.6 -46.62 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 78.7 mtp -59.73 -44.38 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -44.76 -40.93 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' LYS . 24.4 mt-10 -78.81 -69.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' GLU . 14.8 tptt -37.48 -42.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.62 -67.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HA ' HD22 ' A' ' 96' ' ' LEU . 7.5 ptmt -56.2 -32.21 64.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.56 -61.76 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -55.95 -43.42 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 5.2 t80 -63.17 -58.59 6.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.2 mtp -59.29 -12.7 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 58.5 m -84.16 -70.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -98.01 -68.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 104' ' ' PHE . 31.2 mt -33.9 -34.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' PHE . 2.6 t -58.31 137.92 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.3 t -71.16 -34.37 70.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -76.11 8.7 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 73' ' ' THR . . . -88.42 128.98 35.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.3 m -75.41 -37.25 60.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 m -84.69 18.03 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -52.03 117.49 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.0 m -57.76 143.12 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -73.41 109.51 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.446 HG21 ' CD ' ' A' ' 88' ' ' GLN . 21.5 m -144.36 126.9 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.68 133.25 55.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.04 -90.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.446 ' CD ' HG21 ' A' ' 85' ' ' VAL . 12.4 tt0 55.29 47.88 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.965 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.6 p -113.97 14.81 18.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -88.5 15.54 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 75' ' ' LEU . 2.1 pt? -137.64 157.85 45.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.742 ' O ' HG22 ' A' ' 95' ' ' ILE . 7.2 m120 -167.67 167.96 12.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 45.7 mt-10 -34.12 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 92' ' ' ASN . 17.1 mmtp -57.28 -48.01 79.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 92' ' ' ASN . 16.0 tt -42.86 -23.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 97' ' ' GLU . 40.8 mt -75.32 -38.78 60.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 96' ' ' LEU . 79.3 mt-10 -33.36 -64.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -112.16 102.0 53.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.609 0.719 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 139.16 39.51 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.734 2.289 . . . . 0.0 112.31 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -157.27 149.62 17.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.824 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 7.8 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.5 mt -112.49 17.92 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.584 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 9.2 ptm -90.92 -43.16 10.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.584 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.5 m-85 -110.89 17.02 20.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.0 -59.16 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -59.15 -53.78 54.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 104' ' ' PHE . 24.4 mt -44.75 -37.91 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.502 ' HG2' ' NE1' ' A' ' 48' ' ' TRP . 52.8 tt0 -61.23 -35.22 76.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -65.85 -68.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -43.4 -49.86 6.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 107' ' ' LEU . 37.5 mm -59.62 -42.76 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.61 ' CE1' HD23 ' A' ' 19' ' ' LEU . 1.7 t80 -49.85 -53.58 24.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.67 -45.46 92.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.2 tp -42.41 -57.8 2.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 17.5 mtm -73.14 -33.72 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HE3' ' CE1' ' A' ' 112' ' ' PHE . 28.6 ttmt -55.87 -25.04 40.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -117.95 -26.13 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 25.4 t70 -77.01 -64.32 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 120' ' ' TYR . 11.3 p -94.11 -66.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.526 ' HB2' HD13 ' A' ' 19' ' ' LEU . 42.9 t80 -32.02 -67.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 120' ' ' TYR . 19.7 t -35.57 -61.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 123' ' ' PHE . 24.6 mmm180 -59.49 -54.62 44.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 129' ' ' PHE . 52.2 t80 -32.11 -63.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.9 mt -38.86 -48.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -72.02 -42.06 66.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.7 t -54.91 148.97 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 128' ' ' LEU . 2.1 p-10 -58.74 -43.23 90.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.3 tp -32.14 -44.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.568 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . 31.0 t80 -83.5 -62.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 131' ' ' LYS . 91.1 mt -45.67 -60.56 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' LEU . 32.2 tptt -33.82 -54.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -48.04 -52.98 17.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.463 ' HA ' HG21 ' A' ' 12' ' ' THR . 35.6 mtpt -42.52 -57.33 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -57.51 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.3 m -41.41 -47.55 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -66.44 164.04 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.35 131.89 53.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -154.55 169.43 23.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 0.7 OUTLIER -76.92 155.41 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -150.81 124.75 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -95.71 13.7 25.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 72.0 mt -75.19 152.61 86.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.82 26.23 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.368 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.9 t -68.07 134.37 50.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -105.8 101.7 1.86 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.94 3.08 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 85.0 p -82.95 159.99 22.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.2 t -84.28 117.57 23.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -103.96 159.37 15.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.6 m -143.08 143.29 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.77 -169.5 30.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -67.65 -58.88 3.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -90.6 173.36 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.99 167.55 25.42 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.02 177.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.876 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 9' ' ' LEU . 2.7 pp -105.65 -33.83 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HE3' HG21 ' A' ' 135' ' ' THR . 2.7 mmmp? -55.32 164.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 14' ' ' LYS . 4.3 m -71.84 -45.95 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.466 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 17.9 p -37.81 -46.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.4 -43.02 61.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' SER . 1.1 mptp? -61.71 -45.25 94.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.498 ' HB3' HD13 ' A' ' 22' ' ' LEU . 8.5 m0 -66.4 -42.77 87.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.35 97.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.17 -54.11 28.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.8 m -161.55 156.18 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.9 -44.3 97.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -43.73 -41.82 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 72.3 m-20 -67.44 -34.71 77.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 15' ' ' TRP . 5.5 tp -74.55 -38.44 62.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 mt -75.04 -43.14 55.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -63.72 -43.0 97.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 29' ' ' VAL . 54.2 m-20 -74.76 148.71 85.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.709 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -50.66 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.27 -46.65 76.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.49 -53.74 39.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 25' ' ' ASP . 92.4 t -55.47 -44.39 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 111.125 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -54.08 -56.85 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -61.54 -53.73 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.418 ' HB2' HD21 ' A' ' 22' ' ' LEU . 4.7 t80 -46.89 -52.57 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.426 HH12 HD21 ' A' ' 46' ' ' LEU . 36.4 mtp85 -52.34 -53.15 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -47.15 -50.81 19.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.54 -52.92 62.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 37' ' ' LYS . 61.9 mt -54.34 -52.75 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 36' ' ' LEU . 8.7 ttpt -34.75 -45.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -42.71 -59.64 1.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -91.21 12.87 18.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 59.98 47.37 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.423 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.6 p -112.65 17.85 18.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 45' ' ' VAL . 21.2 tt0 -64.2 -53.86 42.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.691 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.1 pm0 -40.53 -32.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.461 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 15.0 m-20 -47.73 -59.03 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 42' ' ' GLU . 18.3 m -67.91 -37.68 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 43' ' ' GLU . 64.8 mt -51.17 -46.07 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' CD1' ' CD2' ' A' ' 74' ' ' PHE . 34.8 t80 -70.53 -43.97 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.542 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 80.6 t90 -57.75 -59.37 5.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 ' CZ3' ' A' ' 48' ' ' TRP . 11.1 mt -48.08 -55.18 10.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . -42.84 -56.14 3.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 50' ' ' ALA . 95.0 m -36.9 -43.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.36 -49.5 22.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -51.32 -41.87 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.19 -61.32 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -56.8 -31.95 65.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 17.6 mmtt -60.2 -41.91 93.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.4 mtm -58.69 136.87 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -97.13 -44.93 6.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.84 116.72 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -60.65 -50.11 74.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.7 m -44.26 -54.81 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -57.83 -41.63 82.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.5 mtp -59.29 -47.3 85.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 28.0 mt-30 -44.36 -50.37 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -66.6 -68.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -41.94 -30.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -51.72 -68.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.771 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -65.55 -34.81 79.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -47.42 -60.93 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.97 -47.54 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.627 ' HA ' HD12 ' A' ' 75' ' ' LEU . 3.0 t80 -51.3 -52.4 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.9 mtp -66.49 -3.82 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.526 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 4.1 m -84.48 -65.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 47' ' ' PHE . 1.9 m-85 -114.16 -26.04 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 91' ' ' LEU . 17.6 mt -81.47 16.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 77' ' ' SER . 1.7 t -106.63 172.05 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.401 ' N ' ' OG ' ' A' ' 76' ' ' SER . 43.6 t -84.5 -45.58 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -83.31 17.16 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -79.08 113.71 17.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.6 t -77.9 -31.62 51.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.7 p -80.43 13.52 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -51.94 116.2 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.54 170.36 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.465 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 23.3 t30 -88.69 129.83 35.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 84' ' ' ASN . 29.9 m -159.49 177.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.01 -54.68 23.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.45 72.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HB3' HG21 ' A' ' 85' ' ' VAL . 3.2 pp0? -54.96 -33.9 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' LEU . 1.6 t -40.25 -30.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -39.66 -28.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 75' ' ' LEU . 31.4 mt -73.59 176.09 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.765 ' O ' HG22 ' A' ' 95' ' ' ILE . 11.7 t-20 -162.15 153.45 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -47.29 -27.62 1.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -59.84 -43.88 94.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.765 HG22 ' O ' ' A' ' 92' ' ' ASN . 10.4 tt -44.81 -24.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.771 HD13 ' CB ' ' A' ' 68' ' ' LYS . 27.0 mt -72.01 -38.24 69.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 96' ' ' LEU . 5.4 mm-40 -36.79 -57.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 9.5 mm-40 -111.01 101.92 51.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.5 Cg_endo -69.73 129.13 17.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -155.2 149.7 19.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.445 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.4 Cg_endo -69.78 0.7 5.28 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.4 mt -102.66 17.95 22.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.573 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 10.2 ptm -92.1 -47.44 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.5 m-85 -104.76 12.22 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 106' ' ' LYS . 20.2 tm0? -68.98 -68.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.431 ' N ' ' OE1' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -48.55 -50.14 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.796 HD11 HD11 ' A' ' 91' ' ' LEU . 9.8 mt -53.65 -33.79 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.542 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 13.9 tt0 -72.64 -28.63 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.19 -50.18 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.402 ' NE2' HD23 ' A' ' 107' ' ' LEU . 19.1 pt20 -66.92 -45.05 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.434 HD11 ' CG1' ' A' ' 85' ' ' VAL . 41.9 mm -61.52 -31.35 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -56.84 -62.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 8.5 p30 -62.81 -41.41 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.485 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 16.8 tp -40.46 -43.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.451 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 29.6 mtm -89.12 -56.77 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -44.55 -26.51 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 3.2 m-85 -75.33 -67.92 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 119' ' ' SER . 5.9 t0 -91.75 -67.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 118' ' ' ASP . 23.0 m -33.33 -68.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.65 ' CZ ' HD11 ' A' ' 124' ' ' LEU . 65.4 t80 -49.64 -49.15 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -55.8 -35.28 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.803 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -77.16 -40.65 44.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -50.67 -58.44 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.65 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 19.7 mt -55.98 -66.45 0.43 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -43.56 -43.97 5.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.2 m -53.62 166.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.9 p30 -70.29 -44.28 68.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 127' ' ' ASP . 10.1 tp -34.18 -42.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -83.45 -61.17 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LYS . 76.0 mt -48.39 -59.55 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.9 OUTLIER -33.89 -56.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.69 ' O ' HG22 ' A' ' 135' ' ' THR . 5.7 t60 -68.1 -50.6 53.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -43.01 -44.34 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 135' ' ' THR . 14.4 mmt85 -38.67 -42.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 132' ' ' HIS . 8.9 t -36.16 -44.81 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.488 ' N ' HG23 ' A' ' 135' ' ' THR . 22.5 tt0 -69.62 150.88 46.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -145.61 154.49 42.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.75 170.18 10.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -140.56 164.9 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -120.75 171.14 8.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.7 t70 59.36 36.5 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 142' ' ' LEU . 1.0 OUTLIER -62.25 152.6 78.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -19.61 36.17 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.665 ' HB3' HD13 ' A' ' 142' ' ' LEU . 23.7 t -61.51 131.44 50.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 130.36 -164.2 22.95 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.427 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 89.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 148' ' ' SER . 77.1 p -162.87 161.75 26.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 147' ' ' SER . 12.6 t -36.92 -53.29 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 m -93.32 162.17 14.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 p 52.15 39.94 27.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.39 116.25 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.2 p -153.42 168.46 26.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 p -87.48 -48.1 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.76 114.41 3.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 t -72.51 -40.09 67.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.692 HD22 ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -119.07 174.01 6.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.692 ' N ' HD22 ' A' ' 9' ' ' LEU . 18.8 mttm -145.47 106.65 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m -79.83 -56.43 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 p -40.18 -41.35 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.93 63.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.067 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -55.87 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.416 ' HB3' HD13 ' A' ' 22' ' ' LEU . 10.2 m0 -56.15 -43.51 78.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.83 94.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.87 67.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 t -159.05 151.79 21.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 22' ' ' LEU . 50.1 tp -60.74 -49.44 77.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -40.13 -53.7 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -51.04 -35.96 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD12 ' HA3' ' A' ' 28' ' ' GLY . 6.2 tp -72.64 -49.01 34.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.56 -45.02 93.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 12.7 pt-20 -62.46 -44.98 95.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.48 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.0 t70 -70.81 140.18 86.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.77 -40.34 5.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -60.77 -44.19 97.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' HA3' HD12 ' A' ' 22' ' ' LEU . . . -60.07 -57.91 16.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -45.44 -46.48 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -54.62 -47.16 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.6 mmt-85 -68.6 -52.77 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -50.35 -57.28 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -42.85 -61.01 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -44.14 -57.51 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -48.78 -56.98 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' LYS . 37.7 mt -49.05 -51.98 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -36.04 -48.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -45.34 -58.77 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -87.63 15.36 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 52.1 47.98 23.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -115.67 18.05 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 45' ' ' VAL . 32.2 tt0 -65.64 -54.76 23.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -39.12 -35.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -47.34 -66.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 42' ' ' GLU . 16.0 m -60.93 -40.97 87.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 43' ' ' GLU . 20.0 mt -47.84 -36.76 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -81.82 -44.55 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -55.17 -52.86 61.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.6 mt -49.87 -48.51 51.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.51 -43.04 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.1 m -55.48 -60.15 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -53.62 48.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.59 -37.57 73.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.24 -58.32 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 10.5 ptpt -56.44 -33.93 66.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 17.4 mmtt -57.58 -41.17 80.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 mtm -61.23 134.04 56.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -96.07 -46.83 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -53.4 135.25 39.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -70.6 -58.85 3.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.3 m -38.26 -58.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -52.43 -40.16 61.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.416 ' HB3' ' HE2' ' A' ' 63' ' ' MET . 51.9 mtp -67.84 -40.87 83.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -49.03 -47.31 44.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -67.3 -59.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG3' HD11 ' A' ' 70' ' ' ILE . 14.0 tptp -46.65 -41.58 14.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.65 -69.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.543 ' HA ' HD22 ' A' ' 96' ' ' LEU . 6.9 ptmt -66.75 -38.94 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -46.32 -55.65 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.401 HD11 ' HG3' ' A' ' 66' ' ' LYS . 43.5 mt -65.14 -46.28 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.1 t80 -52.04 -47.48 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.5 mmm -72.41 -0.96 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.3 m -86.64 -60.43 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -117.97 -30.25 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 91' ' ' LEU . 33.2 mt -79.1 17.61 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -103.45 163.96 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.5 p -75.33 -41.84 55.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -91.35 17.91 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.83 105.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 t -51.15 -31.01 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -126.64 102.12 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -107.78 129.23 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.86 176.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 0.5 OUTLIER -101.59 123.19 45.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.849 HG11 HD22 ' A' ' 107' ' ' LEU . 17.6 m -151.85 150.09 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -115.51 114.09 24.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.63 43.22 6.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.566 ' HG3' HD21 ' A' ' 107' ' ' LEU . 3.1 tt0 -110.11 -37.45 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.4 p -40.12 -30.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.73 -33.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 75' ' ' LEU . 1.4 pt? -64.9 165.89 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.653 ' O ' HG22 ' A' ' 95' ' ' ILE . 17.7 m120 -163.39 160.53 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.4 mt-10 -35.79 -31.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -57.94 -45.65 86.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 92' ' ' ASN . 11.8 tt -42.85 -23.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.543 HD22 ' HA ' ' A' ' 68' ' ' LYS . 26.4 mt -75.17 -38.15 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 96' ' ' LEU . 39.2 mt-10 -32.09 -63.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 27.5 mt-10 -111.1 102.04 51.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.74 130.58 19.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.478 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.58 147.65 18.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.903 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 53.8 Cg_endo -69.76 18.78 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.2 mt -114.82 -18.73 11.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.586 ' HB2' HD11 ' A' ' 95' ' ' ILE . 9.4 ptm -58.3 -46.25 86.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 105' ' ' GLN . 13.2 m-85 -94.16 -36.47 12.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.5 tp-100 -32.02 -50.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -49.01 -50.83 34.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.849 HD22 HG11 ' A' ' 85' ' ' VAL . 30.4 mt -67.42 -40.23 85.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -47.98 -30.38 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -71.46 -64.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.425 ' HA ' ' ND2' ' A' ' 113' ' ' ASN . 7.4 pt20 -53.91 -41.77 68.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.5 mm -65.1 -43.15 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -53.33 -54.8 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 1.9 p30 -66.52 -43.01 86.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 tp -40.93 -47.16 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 39.5 mtm -85.47 -54.92 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -46.17 -24.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 3.6 m-85 -77.99 -63.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 119' ' ' SER . 0.3 OUTLIER -96.49 -68.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -32.17 -69.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -43.42 -64.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.0 m -45.0 -41.91 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.417 ' HD3' ' CE ' ' A' ' 125' ' ' LYS . 53.4 mmt-85 -68.32 -40.55 81.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -48.94 -53.89 17.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 63.9 mt -57.99 -46.64 84.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.417 ' CE ' ' HD3' ' A' ' 122' ' ' ARG . 49.1 mtmt -58.71 -43.12 90.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.3 p -54.45 163.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' LEU . 8.8 p-10 -76.62 -42.76 41.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.1 mt -35.2 -44.06 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -80.97 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 131' ' ' LYS . 37.6 mt -38.73 -51.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 130' ' ' LEU . 22.8 tttm -33.78 -58.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -59.78 -48.53 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -53.93 -64.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -45.74 -53.04 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 89.5 m -42.85 -49.06 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -69.61 174.79 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.02 -1.05 21.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -70.15 120.16 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -113.63 163.5 14.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -76.71 111.6 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -92.27 18.06 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 142' ' ' LEU . 4.3 pp -94.82 142.99 25.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.554 0.693 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 177.11 5.92 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 25.5 p -133.98 148.36 51.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -90.02 -179.66 44.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.538 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -176.83 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.4 t -102.88 117.01 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.7 p -53.31 161.05 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -95.65 176.65 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -133.89 135.31 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.05 -170.54 17.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 60.64 40.89 15.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.814 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -94.84 137.26 34.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.82 78.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -96.13 127.29 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.937 0.398 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.832 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -122.87 157.34 32.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' C ' HD22 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -72.99 107.81 5.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.4 m -78.79 -55.91 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.554 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 44.4 p -44.45 -49.13 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.01 -46.45 16.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -58.16 -50.39 73.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 7.3 m0 -59.94 -48.91 79.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.41 87.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.99 -58.71 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -153.3 132.9 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 112' ' ' PHE . 42.6 tp -38.56 -51.74 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 24.4 mt-10 -38.97 -62.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -39.03 -43.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' A' ' 32' ' ' PHE . 5.5 tp -66.89 -44.45 80.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.444 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 64.1 mt -64.36 -36.71 85.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 1.6 mm-40 -74.99 -55.02 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . 7.2 m-20 -53.41 141.16 43.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.594 0.711 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -38.85 7.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.6 2.2 . . . . 0.0 112.377 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.18 -41.53 73.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA3' HD12 ' A' ' 22' ' ' LEU . . . -61.05 -43.82 98.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ASP . 92.4 t -64.65 -43.74 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -60.09 -45.25 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.6 mmt-85 -68.56 -46.44 69.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.65 ' HD2' HG11 ' A' ' 45' ' ' VAL . 3.5 t80 -48.89 -50.91 32.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HA ' HD12 ' A' ' 36' ' ' LEU . 15.6 mtp180 -55.24 -46.56 76.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.01 -52.41 25.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -62.45 -42.75 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 33' ' ' ARG . 76.9 mt -58.77 -59.9 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' LEU . 9.1 tmtt? -37.0 -45.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -43.78 -56.37 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.82 15.8 19.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 55.47 40.71 31.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -106.2 17.08 24.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ASN . 45.1 tt0 -57.6 -58.14 9.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.813 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.7 pt-20 -34.42 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLU . 34.8 m-20 -43.85 -66.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.65 HG11 ' HD2' ' A' ' 32' ' ' PHE . 33.8 m -66.65 -36.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 43' ' ' GLU . 82.7 mt -47.87 -39.93 20.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 16.8 t80 -74.96 -43.74 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.539 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 83.9 t90 -60.78 -57.76 11.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.73 -45.96 58.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.0 -46.76 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.0 m -46.84 -45.02 19.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 16.6 mm-40 -67.16 -34.3 77.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.4 m-20 -71.68 -58.8 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.546 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 26.8 t80 -40.15 -34.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 15.2 ptpt -85.63 -30.67 23.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -64.74 -35.83 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.493 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 38.0 mtm -63.06 143.41 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -97.24 -43.48 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -53.94 142.79 23.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -87.93 -39.42 14.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' GLN . 22.0 m -57.84 -65.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -40.42 -39.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.546 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 4.1 mtp -59.93 -43.22 95.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' THR . 55.1 mt-30 -44.28 -42.41 6.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -75.17 -69.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HG3' HD11 ' A' ' 70' ' ' ILE . 18.8 tptt -38.55 -42.88 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.34 -69.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HA ' HD22 ' A' ' 96' ' ' LEU . 7.6 ptmt -62.16 -34.38 76.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.41 -38.33 77.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.467 HD11 ' HG3' ' A' ' 66' ' ' LYS . 64.8 mt -81.32 -16.35 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -95.07 -25.7 16.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.423 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 13.0 mtp -91.54 9.34 32.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.584 HG23 ' CG ' ' A' ' 74' ' ' PHE . 7.4 t -117.86 -39.57 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.584 ' CG ' HG23 ' A' ' 73' ' ' THR . 1.9 m-85 -117.96 -37.44 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.763 HD13 ' CD1' ' A' ' 91' ' ' LEU . 19.4 mt -88.51 17.81 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 1.5 t -115.0 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.1 p -64.84 155.04 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt 56.24 36.45 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB3' ' HB2' ' A' ' 82' ' ' GLN . . . -90.33 175.11 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.1 m -101.94 -37.69 8.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.492 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.8 m -99.34 17.79 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.443 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 48.6 tt0 -52.22 106.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -60.71 177.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -102.53 108.46 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.35 134.56 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.41 -66.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.17 -88.97 2.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.715 ' HG3' HD22 ' A' ' 107' ' ' LEU . 34.4 tt0 53.36 43.18 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.3 m -117.88 -22.92 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -42.2 -31.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.763 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.4 pt? -78.08 165.99 23.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.725 ' O ' HG22 ' A' ' 95' ' ' ILE . 2.3 t-20 -164.5 165.34 21.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.5 mt-10 -33.16 -35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' ASN . 37.0 mtmt -54.63 -49.94 69.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 92' ' ' ASN . 14.9 tt -43.64 -23.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 68' ' ' LYS . 39.2 mt -76.51 -37.8 56.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 96' ' ' LEU . 26.6 mt-10 -34.32 -63.33 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.0 OUTLIER -106.44 102.11 39.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.78 130.52 19.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.4 147.18 15.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.862 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 16.27 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 13.3 mt -108.33 -17.43 14.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.551 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 8.6 ptm -65.32 -44.32 88.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.3 m-85 -100.15 17.84 20.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.448 ' C ' ' OE1' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -73.65 -54.26 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt -67.1 -46.38 74.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.715 HD22 ' HG3' ' A' ' 88' ' ' GLN . 30.9 mt -47.58 -38.33 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.539 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 18.9 tt0 -60.47 -34.63 74.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.33 -64.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -49.17 -49.38 42.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.9 mm -63.73 -42.45 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.526 ' CE1' HD23 ' A' ' 19' ' ' LEU . 59.0 t80 -46.12 -49.72 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 114' ' ' LEU . 2.4 p-10 -74.28 -45.24 48.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 113' ' ' ASN . 12.1 tp -33.79 -66.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 30.9 mtm -65.46 -37.54 87.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -44.2 -28.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -117.74 -29.7 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -75.62 -61.06 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 120' ' ' TYR . 41.8 t -93.98 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.455 ' C ' ' O ' ' A' ' 119' ' ' SER . 64.2 t80 -33.11 -57.59 0.39 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.5 t -50.6 -53.95 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 124' ' ' LEU . 22.5 mmt85 -61.31 -60.51 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 122' ' ' ARG . 36.7 t80 -34.28 -34.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ARG . 90.5 mt -70.15 -51.64 29.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 122' ' ' ARG . 45.1 pttt -65.69 -37.42 86.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 125' ' ' LYS . 18.6 p -54.8 153.17 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -68.03 -41.72 81.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.0 tt -34.12 -46.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -81.63 -54.6 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 45.4 mt -49.14 -62.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 45.5 mmtt -34.14 -57.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.835 ' O ' HG22 ' A' ' 135' ' ' THR . 3.0 t60 -57.51 -60.87 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -38.21 -42.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 135' ' ' THR . 47.2 ttt-85 -39.99 -45.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.835 HG22 ' O ' ' A' ' 132' ' ' HIS . 7.3 t -37.59 -41.28 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 134' ' ' ARG . 4.8 tp10 -71.64 156.99 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -80.58 13.79 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -73.5 115.55 13.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.05 159.67 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -87.3 106.17 17.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -82.89 -2.7 55.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 142' ' ' LEU . 4.4 pp -100.39 152.59 37.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 102.1 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.356 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 59.6 p -104.09 157.85 16.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 177.47 160.98 25.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 6.41 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.637 2.224 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.3 p -51.36 -48.03 62.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 6.0 m 55.13 43.38 29.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -95.86 160.7 14.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -141.55 158.9 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.35 -57.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t 54.6 40.21 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 t -90.07 120.27 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.63 117.97 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 28.5 m -134.43 116.2 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.699 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 47.69 32.0 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -107.21 125.61 51.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 m -47.35 -48.68 25.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.9 p -50.31 -47.48 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.38 -41.44 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -64.48 -45.52 86.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 22.1 m0 -64.9 -40.75 95.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.0 84.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.79 -45.92 78.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -168.17 162.83 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' LEU . 43.7 tp -65.14 -44.66 87.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -41.76 -43.26 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -62.9 -36.67 84.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.558 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 4.9 tp -73.69 -48.23 33.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD11 HD21 ' A' ' 19' ' ' LEU . 84.1 mt -63.24 -46.82 85.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 16.9 pt-20 -58.88 -43.19 90.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 2.0 m-20 -73.62 142.76 81.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -42.83 3.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.6 -41.57 97.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.62 -56.47 24.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -46.76 -48.14 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -55.03 -43.26 73.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -69.99 -53.7 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -43.5 -55.25 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' GLU . 47.7 mtp180 -48.4 -62.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.69 ' HB2' HD21 ' A' ' 128' ' ' LEU . 21.0 mt-10 -35.17 -49.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.22 -60.16 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.415 HD21 ' OG ' ' A' ' 119' ' ' SER . 54.6 mt -45.6 -50.28 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -41.17 -37.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -42.57 -60.84 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 9.2 pt-20 -92.66 17.98 9.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 58.71 46.13 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.423 ' OG ' ' CG ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -111.07 17.94 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.756 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 45' ' ' VAL . 61.8 tt0 -62.76 -35.02 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.71 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.2 pm0 -55.41 -38.63 69.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -42.95 -58.3 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.4 m -65.63 -40.23 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 43' ' ' GLU . 79.3 mt -47.16 -37.83 10.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -81.09 -41.43 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -58.15 -32.36 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mt -82.19 -39.29 23.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.07 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.0 p -55.16 -40.93 71.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.43 -57.52 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -50.55 -35.64 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 81.6 t80 -62.0 -57.06 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -26.4 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -65.83 -48.13 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.41 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 5.0 ptp -64.78 135.6 55.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -93.15 -36.57 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -52.1 121.47 6.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -68.2 -55.96 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' LYS . 43.2 m -36.62 -54.46 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -62.78 -38.85 92.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.443 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 40.2 mtp -61.09 -47.71 85.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -49.69 -40.49 40.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -73.32 -67.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -45.92 -35.57 4.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.17 -69.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HA ' HD22 ' A' ' 96' ' ' LEU . 23.0 pttt -62.78 -38.11 89.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -47.2 -60.77 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.408 ' O ' ' HB ' ' A' ' 73' ' ' THR . 20.0 mt -57.09 -41.58 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 75' ' ' LEU . 1.9 t80 -59.08 -47.2 86.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.464 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 94.9 mmm -66.04 -5.01 8.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 70' ' ' ILE . 27.4 m -87.12 -68.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 76' ' ' SER . 3.5 m-85 -106.44 -34.5 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 104' ' ' PHE . 18.9 mt -73.97 17.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.464 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -125.16 165.35 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.5 p -81.45 155.51 25.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 mptt 62.3 36.78 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.77 108.89 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.1 t -63.27 -43.95 96.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.6 m -80.5 13.6 2.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -52.85 125.33 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.04 168.62 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -98.74 105.82 18.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.639 ' CG1' HD11 ' A' ' 111' ' ' ILE . 34.3 m -140.21 170.38 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -127.52 110.55 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.94 45.57 2.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.488 ' HG2' ' CG2' ' A' ' 85' ' ' VAL . 5.0 pp0? -112.23 -30.82 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.944 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.7 p -52.48 -30.74 31.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -50.5 -27.58 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.57 HD11 HD11 ' A' ' 107' ' ' LEU . 87.0 mt -61.21 156.74 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.705 ' O ' HG22 ' A' ' 95' ' ' ILE . 11.6 m120 -151.9 154.72 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -43.05 -30.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -52.2 -44.01 64.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 92' ' ' ASN . 11.6 tt -47.18 -24.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 68' ' ' LYS . 33.6 mt -74.29 -34.41 63.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.1 mt-10 -34.66 -61.97 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -116.3 102.06 53.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.2 22.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.328 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.19 152.69 28.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.533 0.683 . . . . 0.0 110.881 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 6.22 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 7.1 mt -111.64 17.97 19.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.588 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 9.4 ptm -91.35 -44.34 9.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.564 ' CE1' HD11 ' A' ' 75' ' ' LEU . 4.1 m-85 -111.12 17.95 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.89 -52.11 22.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -58.44 -55.74 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.624 HD23 ' NE2' ' A' ' 110' ' ' GLN . 11.7 mt -47.67 -40.07 18.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.52 -30.76 65.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.91 -65.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.624 ' NE2' HD23 ' A' ' 107' ' ' LEU . 25.5 pt20 -55.65 -43.54 76.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.639 HD11 ' CG1' ' A' ' 85' ' ' VAL . 33.5 mm -63.56 -38.21 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.7 -61.68 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -62.92 -40.74 98.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.3 tp -41.09 -55.47 2.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.421 ' HE2' ' O ' ' A' ' 111' ' ' ILE . 39.7 mtm -77.84 -48.26 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.43 ' HG3' ' CB ' ' A' ' 19' ' ' LEU . 28.0 ttpt -44.71 -21.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' MET . 59.7 m-85 -115.65 -35.62 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.78 -70.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 122' ' ' ARG . 48.9 m -66.62 -67.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 119' ' ' SER . 88.4 t80 -32.44 -63.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.7 p -42.52 -41.76 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 119' ' ' SER . 32.6 mtp85 -74.72 -50.87 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.52 ' HE1' HD23 ' A' ' 128' ' ' LEU . 35.5 t80 -38.38 -59.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 129' ' ' PHE . 80.1 mt -52.53 -40.34 62.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.64 -45.76 85.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.5 p -60.33 160.97 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.1 p30 -70.63 -38.64 73.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 34' ' ' GLU . 11.8 tp -32.76 -41.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 133' ' ' LYS . 35.4 t80 -88.82 -62.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 75.2 mt -43.73 -56.29 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.541 ' CE ' ' NH2' ' A' ' 134' ' ' ARG . 0.1 OUTLIER -38.99 -52.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -52.77 -53.22 51.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 20.6 mtpt -46.73 -44.2 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.541 ' NH2' ' CE ' ' A' ' 131' ' ' LYS . 19.1 mtm105 -72.76 -45.06 60.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 64.3 m -46.87 -45.23 20.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -62.53 170.5 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -82.35 176.2 9.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -106.67 175.67 5.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -101.48 167.07 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -114.59 18.04 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.23 15.95 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 144' ' ' SER . 5.0 mp -58.11 153.73 33.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 11.81 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 142' ' ' LEU . 79.5 p -148.55 168.5 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -153.4 163.45 30.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -31.58 20.12 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.683 2.256 . . . . 0.0 112.315 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.9 m -134.69 118.13 16.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.2 m -40.84 -55.52 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.485 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -75.64 141.07 42.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -131.39 142.15 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.72 -50.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -121.89 161.72 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -83.02 134.19 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.64 128.8 1.94 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' LEU . 17.5 t -93.94 127.29 39.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.831 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -36.06 -53.58 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -73.66 154.51 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -83.43 -45.73 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -54.36 -54.27 42.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.71 -46.82 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -58.58 -53.62 56.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.41 ' CD1' ' OD2' ' A' ' 25' ' ' ASP . 7.7 m0 -57.84 -42.86 85.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.56 90.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.44 -61.97 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.4 p -154.81 140.49 18.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.523 HD12 HD23 ' A' ' 22' ' ' LEU . 63.3 tp -44.03 -44.76 7.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -40.15 -59.13 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 18.0 m-20 -47.46 -55.51 8.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.619 HD21 ' CG ' ' A' ' 32' ' ' PHE . 2.2 tp -52.71 -27.2 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD13 ' CH2' ' A' ' 48' ' ' TRP . 80.3 mt -83.78 -44.08 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 2.6 pt-20 -61.36 -34.78 75.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD2' ' CD1' ' A' ' 15' ' ' TRP . 1.8 p30 -87.25 127.72 58.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.14 28.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' CD ' ' HB2' ' A' ' 25' ' ' ASP . 22.7 pm0 -78.22 -25.73 47.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -80.69 -43.99 8.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -52.85 -49.56 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -44.21 -53.43 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -61.64 -44.93 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.619 ' CG ' HD21 ' A' ' 22' ' ' LEU . 8.2 t80 -54.18 -55.08 31.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -50.61 -58.43 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -38.37 -47.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.23 -54.85 42.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.428 HD21 ' HB2' ' A' ' 119' ' ' SER . 52.0 mt -52.11 -49.56 63.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -39.79 -39.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -40.49 -49.79 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 6.3 pt-20 -107.45 10.82 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 62.1 47.3 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.43 ' OG ' ' CG ' ' A' ' 39' ' ' GLU . 1.1 p -112.09 13.6 20.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ASN . 37.1 tt0 -59.04 -44.54 91.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.655 ' HA ' HD12 ' A' ' 46' ' ' LEU . 25.3 pm0 -38.65 -27.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLU . 97.6 m-20 -56.97 -57.99 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 42' ' ' GLU . 15.9 m -69.84 -28.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 43' ' ' GLU . 60.8 mt -60.09 -41.22 92.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.524 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 7.5 t80 -75.67 -39.17 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CH2' HD13 ' A' ' 23' ' ' LEU . 90.9 t90 -57.06 -58.43 8.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD23 ' CZ3' ' A' ' 48' ' ' TRP . 9.8 mt -50.02 -47.98 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.25 -56.45 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 61.8 m -41.25 -61.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 24.2 mm-40 -53.94 -62.23 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -42.04 -40.07 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 21.7 t80 -56.0 -58.46 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -58.92 -18.15 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' MET . 48.9 mtpt -83.57 -34.22 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.491 ' HE2' ' HG2' ' A' ' 66' ' ' LYS . 6.0 mmt -36.94 -45.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 57.96 41.83 23.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' MET . 11.2 m-20 -153.36 150.8 29.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -85.02 -62.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.5 m -48.06 -60.69 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -49.61 -44.47 47.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.487 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 6.3 mtt -61.07 -54.67 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' MET . 53.3 mt-30 -35.37 -35.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' MET . 20.4 mt-10 -80.52 -68.67 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.491 ' HG2' ' HE2' ' A' ' 57' ' ' MET . 30.2 tptt -40.61 -42.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.71 -68.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.502 ' HA ' HD22 ' A' ' 96' ' ' LEU . 9.5 ptmt -62.4 -37.24 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -49.51 -62.09 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.74 -36.72 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.75 ' HA ' HD12 ' A' ' 75' ' ' LEU . 4.1 t80 -66.59 -24.16 66.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.4 mmm -97.01 8.04 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.476 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 95.4 m -97.91 -59.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 47' ' ' PHE . 1.1 m-85 -117.99 -38.56 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 71' ' ' TYR . 33.5 mt -61.27 -39.29 89.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -52.06 163.93 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 m -78.72 -44.23 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -79.36 16.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.98 110.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.4 m -54.72 -29.94 54.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -131.3 102.01 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -101.13 131.45 47.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.8 m -72.68 167.73 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -99.76 117.32 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.851 HG21 ' HB3' ' A' ' 88' ' ' GLN . 19.6 m -140.88 176.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -89.41 -49.1 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.19 80.55 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.851 ' HB3' HG21 ' A' ' 85' ' ' VAL . 9.3 pt20 -96.42 -39.37 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 88' ' ' GLN . 3.1 t -38.25 -26.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 88' ' ' GLN . 6.9 tpp180 -36.76 -32.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 89' ' ' SER . 3.5 pp -68.96 176.23 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.845 ' O ' HG22 ' A' ' 95' ' ' ILE . 6.8 t30 -168.08 158.59 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -40.48 -45.85 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 97' ' ' GLU . 2.9 ttpm? -48.25 -40.11 23.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.845 HG22 ' O ' ' A' ' 92' ' ' ASN . 9.0 tt -45.04 -24.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.502 HD22 ' HA ' ' A' ' 68' ' ' LYS . 59.5 mt -74.76 -36.05 62.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 96' ' ' LEU . 23.0 mt-10 -32.19 -68.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 2.4 tp10 -105.66 101.98 35.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.4 Cg_endo -69.72 127.82 15.17 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -150.54 147.52 21.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 53.5 Cg_endo -69.77 18.74 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.262 . . . . 0.0 112.389 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 100' ' ' HIS . 7.3 mt -117.62 -17.25 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.562 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 6.8 ptm -53.87 -38.71 65.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 75' ' ' LEU . 12.0 m-85 -106.13 -31.96 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 104' ' ' PHE . 22.2 tm0? -32.15 -42.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -67.44 -55.04 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 104' ' ' PHE . 9.7 mt -56.34 -46.25 80.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -50.99 -34.25 28.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -53.47 -62.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 22.1 pt20 -59.02 -42.51 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.479 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 42.7 mm -58.1 -39.14 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -55.21 -63.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 110' ' ' GLN . 7.3 p30 -60.39 -41.48 93.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 12.9 tp -39.43 -59.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 120' ' ' TYR . 43.8 mtm -70.34 -32.99 70.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -53.73 -29.71 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -116.18 -20.49 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 21.8 t70 -85.6 -65.24 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 120' ' ' TYR . 12.6 t -90.3 -65.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 119' ' ' SER . 28.8 t80 -33.08 -66.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 m -40.65 -48.03 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' A' ' 123' ' ' PHE . 81.6 mmt-85 -68.38 -62.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 122' ' ' ARG . 52.0 t80 -32.25 -41.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 122' ' ' ARG . 91.6 mt -62.21 -55.13 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 122' ' ' ARG . 41.1 pttt -62.58 -33.92 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 125' ' ' LYS . 15.0 m -55.99 171.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 128' ' ' LEU . 6.5 p-10 -87.96 -45.79 9.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 128' ' ' LEU . 3.0 tt -33.77 -39.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' LEU . 12.2 t80 -83.13 -66.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' PHE . 60.4 mt -36.65 -44.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 135' ' ' THR . 15.6 mtpt -41.37 -54.72 2.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.424 ' HA ' HG22 ' A' ' 135' ' ' THR . 4.2 t60 -49.64 -47.09 50.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -57.01 -46.62 82.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -70.77 -66.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 131' ' ' LYS . 14.6 t -39.94 -44.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.493 ' N ' HG23 ' A' ' 135' ' ' THR . 27.6 tt0 -64.09 148.19 50.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -97.67 145.64 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.35 133.85 52.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -109.0 151.73 25.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -125.5 133.95 52.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.5 13.77 18.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.8 152.19 91.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 122.79 9.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 74.9 m -109.23 122.52 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -66.58 -118.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.48 31.91 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 t 64.24 41.81 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.9 t -123.45 144.24 49.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -83.14 -48.52 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -156.68 150.47 24.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.28 -105.82 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -88.81 162.33 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.841 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 75.3 m -60.51 -55.69 30.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.85 44.17 0.92 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -96.16 -36.66 10.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.825 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -54.12 134.59 44.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' N ' HD13 ' A' ' 9' ' ' LEU . 29.5 mmmt -113.21 178.14 4.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 m -68.07 -54.47 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.43 HG21 ' HA ' ' A' ' 133' ' ' LYS . 34.3 p -40.34 -38.32 0.79 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.53 76.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -56.56 -41.91 77.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -64.34 -46.2 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.91 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.13 -62.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 m -147.12 152.37 38.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 tp -62.17 -42.77 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -47.58 -47.3 28.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -56.61 -31.84 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 32' ' ' PHE . 5.0 tp -75.15 -52.93 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.67 -43.65 93.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -62.82 -38.28 90.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.63 142.2 61.34 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -56.44 -37.08 69.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.58 -60.34 6.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -40.83 -43.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -61.27 -42.8 99.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -70.71 -44.65 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CZ ' ' OG ' ' A' ' 119' ' ' SER . 2.1 t80 -57.75 -51.78 68.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.474 HH21 HD13 ' A' ' 49' ' ' LEU . 85.0 mtt180 -48.8 -54.19 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -45.6 -60.54 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -44.45 -49.47 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 33' ' ' ARG . 14.3 mt -59.51 -56.03 27.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' LEU . 3.6 tmtt? -35.41 -43.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -45.22 -58.22 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -90.21 16.38 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 56.24 40.79 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.427 ' HB3' ' ND2' ' A' ' 44' ' ' ASN . 23.8 m -110.45 17.86 20.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 44' ' ' ASN . 48.4 tt0 -59.21 -50.95 72.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.88 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.6 pm0 -43.27 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 41' ' ' SER . 20.0 m-20 -52.6 -65.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.85 -35.67 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 43' ' ' GLU . 80.8 mt -49.95 -34.12 19.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 13.9 t80 -79.91 -45.47 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -59.38 -51.32 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.474 HD13 HH21 ' A' ' 33' ' ' ARG . 22.7 mt -51.2 -54.1 28.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.61 -53.96 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 m -45.25 -56.25 5.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.15 -30.02 58.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 13.9 m-20 -77.72 -41.72 36.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -61.06 -21.76 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.1 ptpt -97.85 -32.99 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 57' ' ' MET . 9.2 ptpt -59.11 -35.4 73.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.47 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 29.4 mtm -64.05 159.1 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -115.65 -36.88 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.28 125.04 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -71.22 -42.66 68.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.1 m -57.83 -57.43 12.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -48.34 -30.44 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtp -73.22 -45.51 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -42.08 -33.15 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.91 -65.64 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -41.91 -32.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.52 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.506 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -67.27 -29.28 68.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 15.7 mt-10 -51.93 -62.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.1 mt -62.05 -37.74 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.853 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.5 t80 -60.21 -34.28 73.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.407 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 98.1 mmm -87.42 11.73 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.423 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 20.6 m -98.0 -68.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.443 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 1.9 m-85 -105.62 -45.12 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.068 HD13 HD11 ' A' ' 91' ' ' LEU . 22.0 mt -56.18 -35.67 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -57.62 168.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -87.19 -40.39 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -82.14 17.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 73' ' ' THR . . . -56.85 107.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.2 p -52.36 -28.98 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.409 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -135.08 101.94 5.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -99.7 143.64 29.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.6 m -81.21 165.19 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -83.98 103.4 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.816 HG21 ' HB3' ' A' ' 88' ' ' GLN . 2.8 m -144.59 175.29 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -92.53 -37.42 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.78 70.46 0.17 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.816 ' HB3' HG21 ' A' ' 85' ' ' VAL . 4.5 pm0 -79.41 -7.99 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.9 m -82.94 -0.16 47.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -42.15 -38.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.068 HD11 HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -77.95 163.31 26.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.992 ' O ' HG22 ' A' ' 95' ' ' ILE . 5.3 t30 -133.66 166.63 22.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -44.87 -36.9 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -50.88 -37.94 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.992 HG22 ' O ' ' A' ' 92' ' ' ASN . 5.1 tt -52.49 -26.95 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.506 HD13 ' CB ' ' A' ' 68' ' ' LYS . 80.9 mt -68.49 -26.31 65.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -42.49 -56.55 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -111.24 103.5 55.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.678 0.752 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 124.44 11.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -153.38 145.69 17.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 14.62 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.724 2.282 . . . . 0.0 112.322 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.439 ' H ' ' C ' ' A' ' 100' ' ' HIS . 7.6 mt -107.8 -20.48 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.527 ' HB2' HD11 ' A' ' 95' ' ' ILE . 5.6 ptm -54.65 -44.87 73.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 105' ' ' GLN . 8.5 m-85 -93.33 -35.7 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 104' ' ' PHE . 14.9 tt0 -33.66 -51.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -50.09 -60.62 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' ' 88' ' ' GLN . 9.9 mt -58.24 -43.22 87.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -46.67 -26.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -69.67 -59.45 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.619 ' NE2' HG11 ' A' ' 85' ' ' VAL . 11.1 pt20 -57.33 -46.59 83.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.26 -44.98 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -54.23 -46.94 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.59 -36.52 76.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -51.78 -46.69 64.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.0 mtm -82.3 -52.0 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -48.56 -28.34 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -78.47 -63.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 119' ' ' SER . 8.3 m-20 -89.28 -67.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.548 ' OG ' ' CZ ' ' A' ' 32' ' ' PHE . 7.8 t -33.64 -51.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -58.22 -62.63 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.4 m -47.05 -58.61 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -57.57 -41.06 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -52.2 -47.7 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.62 -64.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -44.79 -40.69 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.4 m -54.74 167.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -77.51 -43.65 31.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.1 mt -33.35 -34.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 127' ' ' ASP . 48.0 t80 -89.29 -67.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.546 HD23 ' HE2' ' A' ' 133' ' ' LYS . 9.7 mt -37.29 -40.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -61.61 -45.75 92.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 129' ' ' PHE . 1.9 t-160 -65.68 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.546 ' HE2' HD23 ' A' ' 130' ' ' LEU . 11.4 pttp -39.91 -38.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 3.8 tmt_? -76.18 -67.25 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 78.1 m -39.38 -46.26 1.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.97 156.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -154.18 168.94 24.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.55 130.91 41.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -118.52 163.7 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 14.73 20.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -84.38 9.56 12.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.666 HD22 ' C ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -62.94 152.13 84.08 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 96.21 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.291 . . . . 0.0 112.317 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.9 m -71.38 159.55 34.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 147' ' ' SER . . . -171.38 173.67 44.88 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 147' ' ' SER . 54.1 Cg_endo -69.77 11.92 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.272 . . . . 0.0 112.379 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 146' ' ' PRO . 46.0 p -34.18 -36.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 146' ' ' PRO . 32.9 p -71.07 -55.01 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.485 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 p -149.48 155.54 40.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -148.71 130.47 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.17 178.89 18.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -81.74 14.91 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.376 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -131.18 155.82 46.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.62 -81.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.2 m 56.23 41.3 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 tp -84.26 148.8 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -57.61 167.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.487 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 4.6 m -93.77 -45.7 7.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.467 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 3.0 p -44.2 -41.66 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.83 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -57.01 -54.38 47.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.487 ' CZ2' ' HB3' ' A' ' 11' ' ' SER . 10.0 m0 -54.61 -47.77 72.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.62 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.7 -46.4 58.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -165.12 152.96 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.984 HD23 ' CE1' ' A' ' 112' ' ' PHE . 30.7 tp -58.01 -44.88 87.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -44.13 -42.92 6.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.468 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 53.0 m-20 -64.71 -33.42 75.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 32' ' ' PHE . 4.4 tp -73.11 -41.72 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.629 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 81.8 mt -72.11 -46.34 57.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.468 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -60.98 -45.95 92.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 2.3 t70 -71.39 140.48 84.9 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.631 0.729 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.5 Cg_endo -69.67 -50.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -57.4 -41.72 80.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.49 -54.27 39.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.5 t -50.4 -44.48 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -58.59 -55.61 32.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -57.02 -47.91 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.801 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 24.3 t80 -55.48 -54.72 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -50.63 -45.13 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.52 -44.96 46.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -72.48 -50.35 26.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.801 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 79.9 mt -40.97 -53.44 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 36.8 tttt -35.41 -38.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -41.16 -66.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.01 17.61 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 58.41 46.37 15.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 p -107.1 16.97 23.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.28 -28.5 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.866 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -74.77 -38.55 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' OD1' ' OE2' ' A' ' 43' ' ' GLU . 2.7 m120 -39.28 -53.59 1.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 46' ' ' LEU . 27.4 m -72.93 -43.1 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' ' 43' ' ' GLU . 35.7 mt -41.13 -42.99 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -74.62 -34.91 62.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.629 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 56.7 t90 -66.59 -42.16 87.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ALA . 18.9 mt -61.66 -56.48 19.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -36.75 -46.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 91.1 m -48.49 -64.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 8.6 mm-40 -45.43 -30.89 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -78.1 -61.73 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -39.68 -32.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -89.29 -29.1 19.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 53' ' ' ASP . 8.2 ptmt -61.49 -40.38 94.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.4 ptp -77.43 146.85 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.27 -36.11 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -52.12 118.73 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' THR . 8.9 ttpp -66.21 -57.33 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' LYS . 18.5 m -36.82 -56.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -52.08 -46.73 65.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' GLN . 53.7 mtp -55.46 -53.18 59.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' MET . 90.6 mt-30 -35.15 -38.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -80.16 -66.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -39.82 -41.17 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.94 -68.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.559 ' HA ' HD22 ' A' ' 96' ' ' LEU . 7.1 ptmt -58.13 -35.28 71.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 4.6 mm-40 -53.84 -66.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.6 mt -52.73 -37.97 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.7 t80 -61.65 -52.01 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.405 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 93.1 mmm -69.72 1.95 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.3 m -95.78 -59.86 1.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -112.18 -31.5 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.838 HD13 HD22 ' A' ' 91' ' ' LEU . 22.5 mt -79.02 17.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 26.0 t -121.13 147.01 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -73.38 149.31 42.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? 61.19 37.41 17.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -82.65 121.83 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ALA . 15.2 t -36.32 -39.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m -138.84 114.08 9.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -113.78 146.91 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -87.85 139.95 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.475 ' O ' HD22 ' A' ' 114' ' ' LEU . 8.8 m-20 -71.2 120.25 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.431 HG21 ' CB ' ' A' ' 88' ' ' GLN . 6.6 m -149.31 152.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -66.98 -43.69 82.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -127.64 -92.84 0.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.7 ' HG3' HD22 ' A' ' 107' ' ' LEU . 23.4 tt0 57.57 35.05 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.327 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 91' ' ' LEU . 80.4 p -117.36 -37.69 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -38.18 -31.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.838 HD22 HD13 ' A' ' 75' ' ' LEU . 2.5 pp -71.5 165.27 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.766 ' O ' HG22 ' A' ' 95' ' ' ILE . 15.8 t-20 -168.03 169.17 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' ASN . 13.0 mt-10 -32.74 -37.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' ASN . 1.5 mmmp? -54.42 -48.36 71.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 92' ' ' ASN . 13.8 tt -43.87 -22.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD22 ' HA ' ' A' ' 68' ' ' LYS . 36.6 mt -78.15 -36.62 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 22.1 mt-10 -32.59 -65.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 63.0 mt-10 -108.84 101.99 46.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.632 0.729 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.78 127.99 15.37 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.52 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.5 OUTLIER -149.56 146.5 20.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.618 0.723 . . . . 0.0 110.803 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 18.14 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.725 2.283 . . . . 0.0 112.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 100' ' ' HIS . 6.0 mt -114.58 -21.15 10.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.52 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 9.2 ptm -52.85 -42.63 65.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.496 ' HE1' HD11 ' A' ' 75' ' ' LEU . 16.3 m-85 -99.27 -32.23 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 104' ' ' PHE . 1.1 tm0? -31.97 -44.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -66.81 -55.51 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.7 HD22 ' HG3' ' A' ' 88' ' ' GLN . 27.4 mt -53.28 -34.74 58.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.508 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 8.2 tt0 -57.6 -28.68 63.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -67.83 -64.7 0.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -49.0 -43.69 40.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.33 -48.82 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.984 ' CE1' HD23 ' A' ' 19' ' ' LEU . 41.2 t80 -48.23 -58.34 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' LEU . 14.5 m-20 -64.19 -47.36 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 84' ' ' ASN . 15.8 tp -36.85 -64.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 120' ' ' TYR . 35.2 mtm -66.6 -34.57 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -46.09 -31.89 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -116.12 -29.26 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -75.37 -59.53 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 120' ' ' TYR . 15.6 m -96.11 -67.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.495 ' CD1' HD13 ' A' ' 19' ' ' LEU . 87.7 t80 -32.34 -64.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 t -40.24 -52.05 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -65.03 -46.21 82.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -41.54 -66.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.9 mt -44.08 -52.76 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.63 -41.15 76.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.4 t -55.09 147.13 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 128' ' ' LEU . 9.7 m-20 -64.15 -41.57 97.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.1 tt -33.81 -43.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -84.59 -61.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.0 mt -39.75 -60.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -41.91 -58.26 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.757 ' O ' HG22 ' A' ' 135' ' ' THR . 25.9 t60 -57.19 -36.54 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.21 -33.34 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 136' ' ' GLU . 2.5 tmm_? -57.97 -63.26 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 132' ' ' HIS . 9.1 t -35.66 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 134' ' ' ARG . 35.0 tt0 -44.02 -57.48 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -59.45 128.31 36.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -60.83 170.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 0.4 OUTLIER -59.6 151.72 23.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -80.08 13.33 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 t70 58.96 32.09 21.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 23.3 mt -113.02 141.68 26.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 117.64 5.2 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.709 2.273 . . . . 0.0 112.368 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 41.0 m -47.48 -53.18 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -130.98 -119.95 2.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.63 41.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 94.0 p -108.6 175.25 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.5 t -83.93 -60.76 2.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.1 m -36.35 -52.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.829 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -56.93 -60.85 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.47 85.69 1.0 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.43 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -89.51 -58.61 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -57.7 110.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.46 ' N ' ' HE3' ' A' ' 10' ' ' LYS . . . 168.7 -65.34 0.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -94.4 -43.8 8.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.635 ' C ' HD12 ' A' ' 9' ' ' LEU . 3.2 pp -43.07 -29.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.56 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.76 158.15 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 -55.89 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 p -48.68 -47.19 41.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.159 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.15 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -57.48 -42.52 82.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.418 ' HB3' HD13 ' A' ' 22' ' ' LEU . 14.9 m0 -64.79 -51.85 60.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.23 85.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.45 -58.56 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.2 m -155.48 147.77 23.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' GLU . 23.7 tp -51.78 -54.82 24.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' LEU . 35.2 mt-10 -35.0 -66.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' GLU . 46.7 m-20 -36.66 -39.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' LEU . 5.2 tp -68.0 -48.21 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD13 ' CH2' ' A' ' 48' ' ' TRP . 35.6 mt -60.05 -29.86 68.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.5 -51.12 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.08 139.19 87.8 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -31.3 20.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.52 -38.71 59.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.96 -44.84 93.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.83 -45.08 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -55.67 -43.99 76.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -74.2 -42.19 60.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -54.46 -54.63 38.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -46.05 -62.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -39.0 -51.02 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -55.07 -41.22 71.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.0 mt -70.93 -47.05 61.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.17 -44.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -50.2 -61.13 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -78.6 9.33 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 54.34 42.61 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB3' ' ND2' ' A' ' 44' ' ' ASN . 41.3 m -115.45 16.46 16.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 45' ' ' VAL . 32.6 tt0 -53.47 -48.39 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 46' ' ' LEU . 5.9 pt-20 -44.04 -22.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLU . 28.0 m-20 -54.55 -56.02 23.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 42' ' ' GLU . 15.8 m -72.01 -27.39 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 43' ' ' GLU . 76.9 mt -63.7 -39.88 95.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 41.0 t80 -76.67 -40.47 48.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.507 ' CH2' HD13 ' A' ' 23' ' ' LEU . 81.6 t90 -64.07 -44.75 91.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.0 mt -58.5 -56.07 26.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.33 -51.14 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.0 m -45.86 -63.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -50.43 -50.05 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -52.98 -40.83 64.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -57.45 -54.88 41.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.4 ptpt -62.98 -31.55 72.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 25.1 mtmt -59.65 -26.82 65.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.0 mtm -75.18 135.19 41.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -97.0 -40.28 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.89 134.76 55.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -69.23 -59.06 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 m -38.2 -62.57 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -48.31 -37.68 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mtt -72.05 -39.91 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -48.75 -44.43 38.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.55 -61.85 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' ALA . 38.1 tptt -42.18 -49.98 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' LYS . . . -33.25 -68.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.628 ' HA ' HD22 ' A' ' 96' ' ' LEU . 1.5 ptmm? -66.61 -33.33 75.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.57 -58.02 6.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.3 mt -63.98 -34.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.863 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.3 t80 -59.35 -39.5 83.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.427 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 6.0 mmt -87.6 15.77 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.698 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 57.4 m -98.01 -58.65 1.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.698 ' CE1' ' CG2' ' A' ' 73' ' ' THR . 1.2 m-85 -118.0 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.863 HD12 ' HA ' ' A' ' 71' ' ' TYR . 15.9 mt -64.72 -31.59 72.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.427 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -56.94 169.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.832 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 m -84.21 -45.78 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 13.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.14 113.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 t -62.92 -30.29 71.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB3' ' CD ' ' A' ' 43' ' ' GLU . 2.1 m -131.55 102.16 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -100.37 132.69 45.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.2 m -91.98 163.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -82.34 110.29 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG21 ' CD ' ' A' ' 88' ' ' GLN . 4.3 m -118.05 -36.27 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 52.08 47.25 25.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.66 58.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.572 ' CD ' HG21 ' A' ' 85' ' ' VAL . 6.1 pm0 -117.91 -30.7 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' ARG . 6.1 m -40.08 -33.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' SER . 26.5 mtt85 -38.07 -32.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 91' ' ' LEU . 1.4 pp -70.34 173.71 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.919 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.7 t-20 -162.1 160.02 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -45.95 -33.29 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -58.86 -36.93 75.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.919 HG22 ' O ' ' A' ' 92' ' ' ASN . 2.9 tt -47.02 -23.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 68' ' ' LYS . 35.0 mt -76.07 -34.88 59.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LEU . 41.6 mt-10 -34.77 -67.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 31.9 mt-10 -102.71 102.03 24.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.8 121.23 7.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.375 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.4 OUTLIER -147.35 147.44 28.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.561 0.696 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 14.17 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.432 ' H ' ' C ' ' A' ' 100' ' ' HIS . 3.5 mt -113.48 -10.32 13.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.718 ' HB2' HD11 ' A' ' 95' ' ' ILE . 10.3 ptm -60.56 -43.42 97.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 105' ' ' GLN . 17.9 m-85 -100.01 -30.93 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -33.4 -47.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -57.58 -56.93 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.87 -48.13 82.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -43.97 -57.27 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -44.51 -28.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.401 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 8.7 mm-40 -73.01 -49.08 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.7 mm -63.26 -41.8 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -48.82 -56.46 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 114' ' ' LEU . 2.5 p30 -63.28 -49.32 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.461 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 4.0 tp -40.89 -51.0 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 60.9 mtm -80.51 -56.02 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -45.66 -22.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -82.81 -63.67 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 119' ' ' SER . 5.5 m-20 -93.66 -68.3 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 118' ' ' ASP . 1.7 t -32.41 -69.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 123' ' ' PHE . 23.5 t80 -44.19 -68.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.3 t -41.51 -41.86 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.79 -35.03 74.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 120' ' ' TYR . 67.9 t80 -54.96 -56.62 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.36 -52.02 67.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -58.45 -33.69 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.424 ' O ' HD12 ' A' ' 130' ' ' LEU . 9.9 m -62.33 175.31 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 129' ' ' PHE . 1.7 m-20 -90.55 -39.89 12.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 127' ' ' ASP . 3.3 mt -36.09 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 127' ' ' ASP . 9.7 t80 -95.01 -68.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 126' ' ' SER . 20.0 mt -37.29 -40.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' LEU . 23.0 tttm -35.68 -66.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 133' ' ' LYS . 10.2 t60 -56.85 -47.96 79.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 132' ' ' HIS . 14.8 ttpp -35.62 -55.42 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -75.02 -32.87 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 132' ' ' HIS . 0.2 OUTLIER -107.14 104.68 14.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -165.61 165.75 18.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.87 0.76 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -138.07 150.31 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -106.18 153.49 22.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -130.3 102.2 6.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.69 2.92 50.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 42.8 mt -75.21 150.33 85.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 115.24 3.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.8 p -80.52 -11.12 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.404 ' HA2' ' HD2' ' A' ' 146' ' ' PRO . . . 78.25 100.74 0.21 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.404 ' HD2' ' HA2' ' A' ' 145' ' ' GLY . 54.0 Cg_endo -69.74 126.12 12.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 68.7 p -84.68 -57.6 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 95.8 p -124.5 177.3 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m 62.32 42.3 9.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 p -82.05 150.44 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.2 -157.2 53.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 m -63.77 164.89 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 p -149.68 154.51 38.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.94 118.45 1.55 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 m -74.56 -38.24 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 110.883 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mt -44.7 -57.29 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -69.01 127.79 34.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 m -94.89 -46.08 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.493 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 70.9 p -45.95 -50.41 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.36 -56.39 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -48.15 -53.37 16.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 8.8 m0 -58.85 -45.51 89.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.55 92.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.99 -51.72 49.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -161.52 164.38 29.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 116' ' ' LYS . 61.2 tp -61.91 -46.14 90.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.76 -62.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.428 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 19.2 m-20 -42.01 -32.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 6.6 tp -74.64 -56.36 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.2 mt -57.54 -46.77 83.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -59.38 -43.05 92.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 3.8 t70 -80.64 140.93 51.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.576 0.703 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -51.3 -40.48 59.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.59 -49.65 71.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.3 t -56.58 -48.54 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -49.26 64.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -66.77 -46.2 76.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.487 ' CD2' HD11 ' A' ' 36' ' ' LEU . 6.9 t80 -54.24 -55.43 28.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 -42.25 -55.7 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -45.57 -61.14 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.458 ' HB2' HD12 ' A' ' 128' ' ' LEU . 22.6 t80 -50.35 -55.8 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 32' ' ' PHE . 94.9 mt -44.61 -55.98 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' LEU . 14.2 tmtt? -34.57 -44.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -44.28 -59.78 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -90.28 17.87 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 56.71 43.09 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.434 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.0 m -108.28 17.8 21.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 45' ' ' VAL . 35.8 tt0 -64.77 -51.24 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.773 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.1 pm0 -53.15 -38.25 62.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -40.24 -53.11 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 42' ' ' GLU . 11.3 m -70.39 -35.89 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 43' ' ' GLU . 79.7 mt -57.08 -36.89 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.549 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 25.3 t80 -80.58 -38.19 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.592 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 80.8 t90 -61.11 -45.93 92.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.98 -51.38 62.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.76 -41.45 6.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -54.51 -61.61 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -57.68 -35.5 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -73.81 -25.02 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 37.2 t80 -74.94 -29.31 60.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.43 -29.67 20.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 53' ' ' ASP . 10.3 ptmt -60.81 -35.66 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.39 137.89 58.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.1 -44.03 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 129.06 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 63' ' ' MET . 18.9 tptm -66.21 -48.31 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.5 m -46.6 -56.89 5.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -50.03 -36.08 27.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.418 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 6.3 mtp -70.25 -45.13 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -40.62 -49.01 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' LYS . 22.2 mt-10 -70.27 -68.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' GLU . 25.0 tptt -36.16 -35.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . -53.47 -70.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -67.78 -31.56 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 3.1 tt0 -54.87 -36.78 65.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.2 mt -85.97 -47.59 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.586 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.5 t80 -54.76 -43.36 72.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 11.2 mmt -72.73 2.6 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 m -96.33 -67.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -106.24 -32.78 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.621 HD13 HD12 ' A' ' 91' ' ' LEU . 17.5 mt -76.55 17.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -129.68 135.53 48.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -43.12 -68.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -65.63 102.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB3' ' HG3' ' A' ' 82' ' ' GLN . . . -155.37 124.66 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.8 t -61.04 -37.76 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -130.41 106.82 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.45 ' HG3' ' HB3' ' A' ' 79' ' ' ALA . 4.8 mt-30 -110.68 154.95 23.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.91 170.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.84 113.91 25.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG12 ' CD ' ' A' ' 110' ' ' GLN . 34.5 m -157.06 136.34 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 87' ' ' GLY . 52.2 mt-10 -81.39 121.75 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 86' ' ' GLU . . . 31.15 48.53 0.2 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.485 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 38.9 tp60 -117.15 -32.79 4.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -79.86 12.13 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -81.59 16.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.621 HD12 HD13 ' A' ' 75' ' ' LEU . 63.1 mt -54.56 153.31 5.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.64 ' O ' HG22 ' A' ' 95' ' ' ILE . 68.9 m-20 -99.06 179.25 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -88.92 -20.69 24.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -30.59 69.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 92' ' ' ASN . 2.3 tt -60.76 -42.29 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 71' ' ' TYR . 24.3 mt -50.83 -34.87 29.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 96' ' ' LEU . 73.5 mt-10 -32.64 -64.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -110.98 102.16 51.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 133.06 24.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.357 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -150.96 148.37 22.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 110.839 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 10.21 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.54 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 8.3 mt -112.4 17.28 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.593 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 10.6 ptm -95.72 -41.24 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.593 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 5.3 m-85 -103.74 -33.27 8.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -38.69 -47.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -60.35 -53.53 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.485 ' CD2' ' HG3' ' A' ' 88' ' ' GLN . 17.3 mt -55.53 -41.05 72.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.592 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 37.5 tt0 -48.87 -30.53 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.02 -62.3 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 17.9 pt20 -58.11 -37.56 74.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.485 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 42.2 mm -63.79 -44.97 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -56.25 -52.4 64.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 3.4 m-20 -67.28 -49.1 65.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 113' ' ' ASN . 15.1 tp -37.18 -48.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.458 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 33.7 mtm -81.74 -61.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.477 ' HB2' HD22 ' A' ' 19' ' ' LEU . 11.9 ttpt -40.56 -27.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 5.0 m-85 -73.68 -68.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 119' ' ' SER . 36.1 t0 -95.16 -68.3 0.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 118' ' ' ASP . 70.7 m -32.11 -63.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.406 ' CB ' ' HA ' ' A' ' 116' ' ' LYS . 70.4 t80 -54.81 -62.55 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.8 t -40.67 -57.23 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 123' ' ' PHE . 54.7 mmt-85 -53.16 -51.46 61.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 122' ' ' ARG . 15.2 t80 -34.09 -60.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 97.1 mt -47.08 -54.72 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -56.72 -41.95 78.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.6 m -55.27 141.56 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.9 m-20 -56.89 -40.31 75.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 35' ' ' PHE . 12.4 mt -35.51 -41.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -89.96 -51.84 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 131' ' ' LYS . 16.7 mt -55.7 -60.33 3.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 130' ' ' LEU . 19.9 ttpp -34.04 -59.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.825 ' O ' HG22 ' A' ' 135' ' ' THR . 6.6 t60 -51.98 -61.07 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -45.87 -40.02 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 135' ' ' THR . 8.5 ttp85 -42.48 -41.97 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 132' ' ' HIS . 9.2 t -37.57 -37.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -101.88 153.79 19.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -88.82 128.29 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.27 156.05 26.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -82.62 178.02 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -89.93 114.72 26.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.42 -1.58 55.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.24 152.03 88.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.699 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.19 69.26 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.645 2.23 . . . . 0.0 112.359 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 99.9 p -111.83 163.02 14.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 119.38 107.9 2.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.48 18.85 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.9 p -97.41 -43.93 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.6 m -154.98 118.54 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.465 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -75.49 -41.28 55.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t -93.67 137.67 32.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.815 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.86 63.12 2.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 p -73.63 -53.07 11.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.0 p -65.9 158.31 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.22 -95.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.6 p -126.15 113.88 17.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.4 . . . . 0.0 110.824 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 10' ' ' LYS . 2.3 tt -71.17 131.18 43.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -61.61 177.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 13.0 m -95.3 -67.26 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.578 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 58.8 p -44.37 -34.78 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.08 -50.2 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HG2' ' CD1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -69.07 -26.57 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 29.2 m0 -70.05 -53.25 18.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.32 -43.11 92.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.89 -50.96 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 m -164.23 152.69 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 120' ' ' TYR . 53.0 tp -59.05 -47.36 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -42.97 -55.27 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' OD2' ' A' ' 25' ' ' ASP . 29.8 m-20 -49.0 -51.15 32.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 4.2 tp -61.3 -28.67 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 49.3 mt -75.47 -34.58 60.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.23 -56.23 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 22' ' ' LEU . 1.2 p30 -56.6 127.88 73.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -24.39 29.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 16.9 pm0 -82.73 -25.92 32.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -81.02 -36.56 21.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.8 t -72.54 -43.66 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 111.081 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HE2' ' CZ ' ' A' ' 31' ' ' ARG . 11.2 ptmt -45.23 -40.12 7.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.493 ' CZ ' ' HE2' ' A' ' 30' ' ' LYS . 4.3 mmt-85 -74.98 -60.77 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.797 ' CD2' HD11 ' A' ' 36' ' ' LEU . 1.9 t80 -33.78 -60.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' PHE . 41.9 mtp180 -37.88 -52.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.652 ' HB2' HD21 ' A' ' 128' ' ' LEU . 10.1 mt-10 -44.27 -68.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.55 ' HB2' HD22 ' A' ' 128' ' ' LEU . 78.8 t80 -50.16 -60.36 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.797 HD11 ' CD2' ' A' ' 32' ' ' PHE . 48.8 mt -40.34 -58.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -35.23 -50.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -46.31 -59.85 2.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -82.11 14.96 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 57.95 47.38 15.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.405 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.5 t -114.84 -5.67 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -53.03 -40.8 64.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.745 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -64.03 -24.83 67.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -56.97 -60.28 3.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.26 -28.19 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 43' ' ' GLU . 38.1 mt -57.59 -36.57 71.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 19.0 t80 -80.17 -43.41 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.509 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 84.9 t90 -57.22 -56.12 25.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.0 mt -44.03 -47.26 8.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.23 -46.54 75.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.0 m -45.57 -58.79 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.33 -63.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.77 -38.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -60.49 -60.38 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 14.3 ptpt -59.03 -30.03 67.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 32.7 mtmt -63.83 -38.74 92.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 69.5 mtm -59.45 127.68 33.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -87.02 -45.21 10.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.64 122.22 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -66.35 -49.27 67.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.0 m -44.02 -59.8 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -49.31 -47.17 47.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLN . 25.1 mtp -54.53 -52.34 62.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' MET . 80.9 mt-30 -37.97 -42.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.22 -66.97 0.62 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -40.83 -34.56 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.13 -67.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.519 ' HA ' HD22 ' A' ' 96' ' ' LEU . 2.7 ptmm? -62.97 -32.3 73.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -52.56 -66.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.9 mt -57.06 -37.84 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.571 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.7 t80 -61.69 -41.32 97.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.415 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 9.4 mmt -75.94 6.67 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.47 ' CG2' ' CE1' ' A' ' 74' ' ' PHE . 78.3 m -97.97 -68.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -108.75 -28.86 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.597 HD11 ' CE1' ' A' ' 104' ' ' PHE . 12.3 mt -77.79 14.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -124.9 161.95 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.8 m -75.96 156.57 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.5 tttm 54.82 39.08 31.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -74.36 116.07 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ALA . 59.6 m -34.61 -51.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.0 m -125.58 104.64 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -97.37 162.32 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.1 m -114.08 177.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -104.2 104.94 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 34.9 m -139.45 168.93 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -129.57 119.43 23.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.0 43.42 10.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -95.37 -50.12 5.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.492 ' N ' ' CD ' ' A' ' 88' ' ' GLN . 2.2 m -38.0 -27.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 88' ' ' GLN . 8.4 ttt180 -37.0 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 71' ' ' TYR . 3.5 pp -70.41 175.2 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.781 ' O ' HG22 ' A' ' 95' ' ' ILE . 68.2 m-20 -168.41 158.0 9.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' ASN . 27.1 mt-10 -36.6 -38.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -51.15 -47.62 62.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.781 HG22 ' O ' ' A' ' 92' ' ' ASN . 7.3 tt -43.06 -26.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.543 HD21 ' CG ' ' A' ' 71' ' ' TYR . 38.4 mt -74.23 -38.06 63.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 8.5 mt-10 -34.04 -66.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 8.0 mm-40 -105.51 101.99 35.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.7 131.9 22.31 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -156.36 149.66 18.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.405 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.0 Cg_endo -69.86 10.62 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.413 ' H ' ' C ' ' A' ' 100' ' ' HIS . 6.1 mt -106.06 -14.14 15.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.62 ' HB2' HD11 ' A' ' 95' ' ' ILE . 10.2 ptm -65.17 -42.38 93.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.597 ' CE1' HD11 ' A' ' 75' ' ' LEU . 5.4 m-85 -110.6 17.8 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.48 -44.17 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -73.08 -49.24 29.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.485 HD23 ' NE2' ' A' ' 110' ' ' GLN . 14.2 mt -53.95 -30.44 46.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.509 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 10.8 tt0 -71.48 -31.43 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.06 -65.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.485 ' NE2' HD23 ' A' ' 107' ' ' LEU . 8.2 pt20 -44.84 -48.22 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.507 ' O ' ' HE2' ' A' ' 115' ' ' MET . 27.5 mm -63.48 -41.31 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.4 ' CD1' HD23 ' A' ' 19' ' ' LEU . 44.5 t80 -56.93 -63.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -62.09 -30.4 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.66 -68.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.507 ' HE2' ' O ' ' A' ' 111' ' ' ILE . 29.3 mtm -61.96 -27.43 68.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -56.19 -31.53 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -117.23 -18.17 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.08 -67.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 120' ' ' TYR . 5.4 p -97.47 -59.08 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 115' ' ' MET . 61.4 t80 -32.77 -53.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -49.7 -50.85 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 125' ' ' LYS . 1.9 mpt_? -68.25 -62.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 122' ' ' ARG . 36.7 t80 -34.79 -34.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 122' ' ' ARG . 25.5 mt -68.05 -48.68 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 122' ' ' ARG . 15.9 pttm -66.59 -34.48 77.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.8 p -57.75 177.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 128' ' ' LEU . 21.2 p-10 -83.16 -42.83 16.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 34' ' ' GLU . 10.0 tp -34.15 -38.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -90.9 -66.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 131' ' ' LYS . 78.6 mt -42.66 -53.99 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -33.97 -61.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.733 ' O ' HG22 ' A' ' 135' ' ' THR . 4.8 t60 -41.72 -63.92 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' HIS . 23.0 mttp -36.3 -33.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 132' ' ' HIS . 6.6 tpp180 -56.16 -64.73 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.733 HG22 ' O ' ' A' ' 132' ' ' HIS . 11.3 t -46.1 -24.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -89.72 169.84 10.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -98.05 142.04 30.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -111.65 137.51 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 142' ' ' LEU . 1.2 pm0 -70.18 172.16 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -90.84 170.81 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 58.76 32.05 21.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.406 ' CD2' ' HG2' ' A' ' 139' ' ' GLU . 18.4 mt -59.63 139.86 89.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 88.9 p -141.23 129.22 21.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -135.32 146.44 18.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.82 3.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.301 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 64.5 p -51.27 -58.53 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.8 t -64.31 136.16 56.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -45.97 -44.44 14.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 110.823 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -144.39 150.48 37.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.38 92.51 0.37 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -57.71 108.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -71.97 172.37 10.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.4 -121.32 1.01 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 t 67.58 42.13 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.871 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 164.51 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -97.4 133.24 42.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.496 ' HB3' ' CZ2' ' A' ' 15' ' ' TRP . 68.6 m -57.79 -54.86 42.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.448 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 42.7 p -41.15 -56.25 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.14 -44.35 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -63.06 -58.04 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.496 ' CZ2' ' HB3' ' A' ' 11' ' ' SER . 10.5 m0 -51.52 -40.87 60.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.79 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -48.85 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.6 p -168.13 160.45 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 22' ' ' LEU . 32.0 tp -60.53 -44.95 95.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -42.11 -47.29 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.471 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 15.8 m-20 -60.32 -32.87 71.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 32' ' ' PHE . 4.6 tp -73.41 -44.45 58.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.679 HD13 ' CH2' ' A' ' 48' ' ' TRP . 75.6 mt -68.13 -46.58 70.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 3.0 pp20? -60.62 -45.81 92.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.19 139.03 87.16 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -43.5 2.66 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -60.97 -40.5 93.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.66 -58.17 14.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -43.53 -52.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -49.14 -49.83 40.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -65.3 -50.54 65.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.716 ' CE2' HD11 ' A' ' 36' ' ' LEU . 9.8 t80 -49.42 -58.64 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH2' ' OE2' ' A' ' 42' ' ' GLU . 29.8 mtp-105 -44.35 -59.19 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -40.47 -57.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -52.97 -58.38 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.716 HD11 ' CE2' ' A' ' 32' ' ' PHE . 41.0 mt -48.72 -56.33 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' LEU . 7.1 ttpt -32.43 -47.6 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -45.74 -59.81 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -84.58 16.3 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 53.35 43.61 31.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.433 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 4.8 m -117.92 17.62 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.862 ' O ' HG22 ' A' ' 45' ' ' VAL . 37.8 tt0 -64.35 -55.05 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 1.0 OUTLIER -42.25 -34.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 47.9 m-20 -44.94 -40.97 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 42' ' ' GLU . 16.1 m -82.65 -32.86 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.7 mt -56.64 -39.73 74.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 14.0 t80 -76.98 -42.21 39.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.679 ' CH2' HD13 ' A' ' 23' ' ' LEU . 77.7 t90 -61.45 -57.09 13.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mt -47.01 -51.2 17.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.21 -37.77 55.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.7 m -57.53 -59.91 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 5.4 pt-20 -63.35 -31.56 72.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -74.94 -30.63 61.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -71.39 -28.94 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -91.18 -29.93 16.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -59.74 -35.57 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 66.1 mtm -60.13 159.62 9.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -115.88 -37.63 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.96 132.2 52.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -75.01 -45.38 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.5 m -55.77 -58.83 6.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -44.3 -41.18 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 mtp -61.7 -42.47 98.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -51.88 -45.58 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.98 -61.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -50.11 -33.23 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.53 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.447 ' HA ' HD22 ' A' ' 96' ' ' LEU . 11.5 pttt -64.0 -36.4 83.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.13 -64.09 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.2 mt -58.25 -39.18 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.625 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.3 t80 -58.51 -49.04 78.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.441 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 21.9 mtp -66.5 -5.9 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -82.59 -67.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 1.3 m-85 -111.1 -31.78 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 71' ' ' TYR . 23.1 mt -73.14 17.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 74' ' ' PHE . 37.3 t -120.35 158.34 27.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 t -79.05 144.3 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 59.51 41.47 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.01 136.89 46.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -48.51 -53.71 17.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.4 m -121.85 102.8 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -101.99 125.4 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.03 178.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.441 ' O ' HG13 ' A' ' 85' ' ' VAL . 73.8 m-20 -114.74 112.2 22.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.64 HG21 ' HB3' ' A' ' 88' ' ' GLN . 22.4 m -157.47 175.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -93.18 -61.66 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -115.3 104.8 1.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.64 ' HB3' HG21 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -140.45 178.04 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.419 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . 25.0 t 67.92 35.56 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -82.65 17.95 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -119.4 161.31 20.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.913 ' O ' HG22 ' A' ' 95' ' ' ILE . 6.5 m120 -127.45 158.37 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -36.66 -43.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 97' ' ' GLU . 1.3 mptp? -46.38 -44.36 16.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.913 HG22 ' O ' ' A' ' 92' ' ' ASN . 10.4 tt -41.56 -29.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' GLU . 59.6 mt -67.89 -39.99 83.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' LEU . 30.3 mt-10 -34.85 -60.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 64.7 mm-40 -114.45 101.99 54.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.6 Cg_endo -69.73 143.07 49.78 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.469 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.81 146.78 14.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 19.02 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 100' ' ' HIS . 11.1 mt -111.63 -23.3 10.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.6 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 7.9 ptm -56.86 -47.0 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.6 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.9 m-85 -101.1 17.9 21.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -80.52 -58.07 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -61.24 -59.98 4.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.0 mt -46.83 -37.65 9.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.91 -34.88 79.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -59.87 -64.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -48.21 -50.29 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.74 -44.78 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -50.31 -47.82 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 68.0 m-80 -71.13 -45.41 63.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.6 tp -39.22 -49.84 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.481 ' CA ' ' HB2' ' A' ' 119' ' ' SER . 29.1 mtm -82.72 -56.76 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 9.5 tttm -45.63 -23.75 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 3.4 m-85 -78.33 -67.56 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 119' ' ' SER . 1.0 OUTLIER -93.77 -67.01 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 118' ' ' ASP . 37.2 m -32.03 -70.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 116' ' ' LYS . 63.9 t80 -39.8 -51.73 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 m -59.78 -46.75 88.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -59.42 -40.76 87.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -58.37 -59.99 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.6 mt -44.21 -43.53 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.67 -43.57 79.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.0 p -54.88 145.98 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 128' ' ' LEU . 5.1 p-10 -58.01 -43.0 86.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.8 mt -33.32 -41.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.586 ' CZ ' ' HD2' ' A' ' 133' ' ' LYS . 38.3 t80 -84.09 -61.91 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 43.1 mt -42.58 -55.28 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 12.8 tttp -34.29 -62.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.405 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 2.5 t60 -46.06 -51.71 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.586 ' HD2' ' CZ ' ' A' ' 129' ' ' PHE . 18.3 mtpp -53.71 -46.61 70.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -64.5 -59.17 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.8 m -49.48 -50.12 42.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -66.44 174.98 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 51.93 32.09 9.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -58.45 164.88 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 2.4 pm0 -87.93 163.53 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -112.17 17.67 19.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.86 -2.82 7.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.28 154.07 64.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.579 0.704 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -40.24 5.54 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.0 m -94.16 125.15 38.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 150.14 150.05 5.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 177.88 5.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.6 m -64.9 172.1 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 91.9 p -148.51 166.5 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -80.99 -60.81 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -56.57 -45.78 81.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.23 -116.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 p -104.39 166.27 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -72.95 -56.48 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.26 -162.07 12.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.6 p -90.49 -38.9 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.84 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -89.66 156.19 18.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' N ' HD22 ' A' ' 9' ' ' LEU . 13.1 mmmt -107.95 157.14 18.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -87.97 -50.0 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.518 HG21 ' CA ' ' A' ' 133' ' ' LYS . 2.5 p -55.38 -31.55 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.0 81.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -59.14 -44.15 92.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -61.21 -45.86 92.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.13 83.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.17 -59.27 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -148.39 142.47 25.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.522 HD23 ' CE1' ' A' ' 112' ' ' PHE . 37.7 tp -49.04 -46.97 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -45.81 -53.78 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -44.37 -36.58 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 5.2 tp -71.44 -55.19 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.418 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 58.7 mt -54.91 -46.72 74.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 18.5 pt-20 -63.04 -41.63 99.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.3 m-20 -72.05 137.89 82.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.45 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -55.89 -37.28 68.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.11 -60.71 6.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 25' ' ' ASP . 94.8 t -42.58 -41.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 111.146 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -64.06 -61.28 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -51.46 -46.59 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -53.53 -60.1 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -44.42 -45.93 9.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -48.82 -59.79 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -60.96 -41.19 95.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.2 mt -54.48 -38.5 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -53.4 -38.08 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -43.35 -46.84 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.89 9.78 32.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 63.27 44.09 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -111.05 17.22 20.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.667 ' O ' HG22 ' A' ' 45' ' ' VAL . 34.7 tt0 -65.03 -31.69 73.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 46' ' ' LEU . 4.9 pt-20 -63.31 -33.9 76.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.541 ' HA ' HG12 ' A' ' 83' ' ' VAL . 27.3 m-20 -45.68 -44.4 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 42' ' ' GLU . 18.0 m -78.73 -33.47 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 43' ' ' GLU . 29.8 mt -56.19 -34.16 65.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 36.2 t80 -79.2 -50.3 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.418 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 87.9 t90 -52.28 -47.84 65.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.71 -47.82 84.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.35 -46.7 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.7 m -52.92 -51.32 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' OE1' ' CH2' ' A' ' 48' ' ' TRP . 27.3 mt-10 -60.81 -55.02 38.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.83 -18.91 9.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CE2' ' SD ' ' A' ' 103' ' ' MET . 49.2 t80 -82.13 -42.41 19.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -84.41 -20.23 32.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -68.87 -39.83 79.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ptp -76.15 152.5 36.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.71 10.03 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.68 118.35 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -61.87 -58.68 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.9 m -41.56 -57.91 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -54.57 -43.12 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.9 mtp -59.74 -42.46 93.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -44.7 -50.59 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' LYS . 8.5 mt-10 -72.09 -68.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HG3' HD11 ' A' ' 70' ' ' ILE . 7.6 tptp -35.81 -40.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.78 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.774 ' CB ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -70.06 -38.87 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' A' ' 66' ' ' LYS . 2.9 tt0 -48.3 -34.52 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.507 HD11 ' HG3' ' A' ' 66' ' ' LYS . 77.7 mt -86.09 -46.75 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.623 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.9 t80 -57.51 -30.79 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.8 mmt -86.65 5.97 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 m -97.96 -56.73 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 1.5 m-85 -117.89 -32.17 4.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 71' ' ' TYR . 19.3 mt -79.48 15.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -119.28 150.15 40.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.8 m -75.63 152.19 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? 54.16 43.56 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.69 130.39 37.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.7 t -45.52 -53.79 8.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -117.33 102.83 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -113.2 125.1 53.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 44' ' ' ASN . 27.5 m -66.35 142.05 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.91 115.98 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.606 ' CG1' HD11 ' A' ' 111' ' ' ILE . 30.6 m -149.77 122.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.35 120.62 21.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.58 84.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.44 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -54.82 161.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 91' ' ' LEU . 72.9 m -68.63 173.78 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -76.38 15.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.708 ' CD1' HD11 ' A' ' 107' ' ' LEU . 52.4 mt -51.98 143.43 13.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.817 ' O ' HG22 ' A' ' 95' ' ' ILE . 16.1 m120 -137.78 164.27 29.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 10.3 mp0 -57.43 -23.85 52.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -58.22 -37.02 74.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.817 HG22 ' O ' ' A' ' 92' ' ' ASN . 16.1 tt -52.25 -23.8 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 68' ' ' LYS . 16.0 mt -67.19 -29.25 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -52.59 -42.07 64.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 43.3 mt-10 -126.47 102.38 26.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.74 128.81 16.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -151.86 148.4 21.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 110.893 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.7 4.18 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.636 2.224 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 6.0 mt -103.56 17.87 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.568 ' HG3' ' CD1' ' A' ' 104' ' ' PHE . 7.0 ptm -88.34 -45.87 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 2.8 m-85 -109.37 16.85 22.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -63.15 -41.15 99.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 106' ' ' LYS . 2.2 mppt? -75.8 -53.47 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.708 HD11 ' CD1' ' A' ' 91' ' ' LEU . 7.1 mt -51.88 -31.61 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.23 -27.63 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -74.06 -66.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -43.7 -43.95 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.606 HD11 ' CG1' ' A' ' 85' ' ' VAL . 39.6 mm -67.43 -39.91 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.522 ' CE1' HD23 ' A' ' 19' ' ' LEU . 30.6 t80 -58.72 -61.02 2.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -64.57 -30.47 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 22.8 tp -50.88 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' TYR . 34.8 mtm -65.38 -26.45 68.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -56.08 -31.16 62.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -117.97 -13.92 10.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.406 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 1.0 OUTLIER -89.99 -68.74 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 122' ' ' ARG . 64.5 m -90.78 -60.45 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 115' ' ' MET . 56.5 t80 -32.15 -46.72 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 m -63.72 -47.48 80.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -69.72 -61.08 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 129' ' ' PHE . 25.4 t80 -34.78 -32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' ARG . 64.8 mt -70.57 -62.8 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -42.78 -37.13 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.453 ' O ' HD12 ' A' ' 130' ' ' LEU . 6.4 t -56.98 177.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 128' ' ' LEU . 10.5 m-20 -97.71 -38.61 9.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 127' ' ' ASP . 2.7 tt -34.16 -41.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 123' ' ' PHE . 2.4 t80 -92.3 -57.37 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.481 HD23 ' HD3' ' A' ' 133' ' ' LYS . 51.3 mt -53.7 -58.53 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 127' ' ' ASP . 0.5 OUTLIER -44.83 -30.32 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -78.05 -45.02 24.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.518 ' CA ' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER -68.35 -28.51 67.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 135' ' ' THR . 0.2 OUTLIER -80.34 -67.56 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 134' ' ' ARG . 13.0 t -34.17 -39.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -53.7 -58.1 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -62.61 152.64 34.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -145.16 121.69 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.63 -19.79 54.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.86 163.2 17.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -110.8 5.85 20.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 142' ' ' LEU . 4.1 pp -99.1 153.5 37.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.562 0.696 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 129.49 17.7 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 79.4 p -80.08 -38.58 31.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 71.39 -121.27 8.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 136.62 33.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.5 p -62.27 -61.45 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.6 t 64.46 42.4 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -136.7 170.18 16.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -142.32 120.28 12.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.53 103.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -107.35 136.51 47.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -152.33 149.12 28.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.97 -90.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -90.8 153.6 20.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -52.71 141.38 21.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' N ' HD13 ' A' ' 9' ' ' LEU . 38.4 mmtt -78.74 178.28 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 37.3 p -83.46 -49.9 8.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.799 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.445 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 37.1 p -38.96 -53.35 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.498 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . . . -53.51 -44.28 68.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -60.52 -46.96 88.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 18.8 m0 -61.63 -50.91 70.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.29 -40.92 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.04 -54.62 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t -157.59 152.7 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.11 -41.01 91.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -47.23 -41.91 19.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -64.07 -35.68 81.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 5.8 tp -73.22 -50.12 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.612 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 31.5 mt -64.3 -45.57 87.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -61.33 -36.12 79.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 9.7 m-20 -87.27 142.76 33.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.84 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -51.52 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -46.19 -44.3 15.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.59 -61.98 6.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -42.65 -47.79 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -51.23 -53.06 38.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -65.38 -48.27 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.06 -45.96 64.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -54.59 -59.56 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -40.54 -54.0 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 122' ' ' ARG . 83.1 t80 -56.09 -64.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 69.9 mt -45.82 -59.02 3.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LEU . 1.1 tmmt? -36.4 -41.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -46.9 -49.32 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.59 17.93 19.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 60.52 38.71 18.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.403 ' OG ' ' ND2' ' A' ' 44' ' ' ASN . 27.0 t -102.62 -13.92 16.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.59 ' OE2' HD11 ' A' ' 46' ' ' LEU . 12.6 tt0 -43.03 -58.06 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.925 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 pt-20 -35.04 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.542 ' N ' ' O ' ' A' ' 42' ' ' GLU . 42.6 m-20 -52.76 -66.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 46' ' ' LEU . 12.2 m -57.03 -39.51 66.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.925 HD12 ' HA ' ' A' ' 43' ' ' GLU . 81.9 mt -47.39 -38.8 13.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.538 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 4.3 t80 -79.68 -42.23 25.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.612 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 85.9 t90 -58.46 -47.35 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.4 mt -57.22 -55.51 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.51 -45.05 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.3 m -47.67 -56.05 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -66.85 -63.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.9 -39.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -57.97 -62.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 11.5 ptpt -56.39 -34.38 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 21.4 mtmm -60.77 -45.38 94.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 56' ' ' LYS . 14.6 mtm -34.41 -41.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 54.69 40.48 31.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -141.63 128.99 21.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -63.17 -61.19 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.2 m -47.81 -61.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -49.13 -40.57 33.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 mtt -66.69 -42.31 86.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -49.38 -38.57 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -81.48 -67.53 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' CB ' ' HE1' ' A' ' 57' ' ' MET . 31.5 tptt -41.25 -41.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -41.27 -67.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HA ' HD22 ' A' ' 96' ' ' LEU . 1.2 ptmm? -63.79 -35.84 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -50.92 -61.72 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.3 mt -57.94 -40.73 77.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.547 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 1.4 t80 -55.9 -51.02 69.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.411 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 84.1 mmm -69.44 -5.7 25.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 m -79.55 -63.07 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 1.7 m-85 -117.98 -30.96 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.731 HD22 HD21 ' A' ' 91' ' ' LEU . 28.7 mt -75.13 18.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 74' ' ' PHE . 3.8 t -107.49 165.31 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.4 p -80.62 -52.2 7.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -80.56 17.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' A' ' 82' ' ' GLN . . . -58.99 111.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.7 p -52.39 -33.51 43.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 m -125.59 104.4 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.468 ' HG3' ' HB3' ' A' ' 79' ' ' ALA . 5.7 mt-30 -110.37 147.69 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -104.81 165.51 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -85.6 129.26 34.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.836 HG21 ' HB3' ' A' ' 88' ' ' GLN . 2.4 m -143.58 170.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 8.1 pt-20 -111.54 -36.52 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -145.68 46.1 0.79 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.836 ' HB3' HG21 ' A' ' 85' ' ' VAL . 0.7 OUTLIER -96.06 -63.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLN . 3.3 t -36.8 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 88' ' ' GLN . 65.3 mtt180 -36.93 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.731 HD21 HD22 ' A' ' 75' ' ' LEU . 4.0 pp -61.09 174.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.737 ' O ' HG22 ' A' ' 95' ' ' ILE . 15.1 t-20 -165.87 166.35 17.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 92' ' ' ASN . 38.3 mt-10 -32.99 -37.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' ASN . 5.1 mmmm -53.06 -48.71 67.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 92' ' ' ASN . 8.4 tt -44.89 -23.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 68' ' ' LYS . 51.8 mt -77.86 -35.31 51.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 96' ' ' LEU . 18.2 mt-10 -32.06 -64.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.441 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 31.7 mt-10 -113.81 102.0 54.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.68 0.752 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.7 Cg_endo -69.78 133.58 25.88 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.4 OUTLIER -152.96 148.74 20.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.84 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 53.4 Cg_endo -69.76 19.48 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.5 mt -115.58 -29.04 6.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.516 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 8.7 ptm -44.96 -43.13 8.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 10.5 m-85 -100.75 -29.38 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 104' ' ' PHE . 18.5 tt0 -31.98 -44.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 106' ' ' LYS . 8.4 mptt -75.4 -49.73 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.423 HD12 ' HD1' ' A' ' 104' ' ' PHE . 31.9 mt -55.04 -34.05 63.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.594 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 30.3 tt0 -65.43 -30.94 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.0 -67.1 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -46.15 -51.12 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.3 mm -61.9 -41.4 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -56.94 -62.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 67.1 m-80 -55.94 -43.56 77.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' A' ' 118' ' ' ASP . 12.6 tp -42.1 -72.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.436 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 55.7 mtm -52.54 -29.99 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 113' ' ' ASN . 17.5 ttpt -47.85 -48.03 31.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.451 ' CE1' ' O ' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -115.47 3.87 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.484 ' HB3' ' O ' ' A' ' 114' ' ' LEU . 2.4 t0 -98.02 -63.7 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 121' ' ' SER . 14.1 m -97.68 -62.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.454 ' C ' ' O ' ' A' ' 119' ' ' SER . 74.9 t80 -32.92 -35.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 119' ' ' SER . 34.2 t -60.63 -61.78 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 11.5 ptp180 -68.17 -31.25 70.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -54.95 -35.5 64.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.39 -55.31 6.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -57.17 -35.23 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.6 p -54.44 163.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.5 m-20 -76.35 -41.16 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 127' ' ' ASP . 8.8 tp -33.99 -36.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 127' ' ' ASP . 32.6 t80 -96.06 -64.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 131' ' ' LYS . 25.5 mt -40.68 -50.98 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -33.99 -58.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 133' ' ' LYS . 8.4 t60 -65.63 -56.05 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 132' ' ' HIS . 2.0 ttpm? -36.24 -36.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -44.27 -56.36 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 4.4 t -43.25 -38.46 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.52 172.3 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -148.34 112.96 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -95.28 154.08 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -106.23 169.36 8.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -82.41 18.04 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.7 t70 53.29 32.16 13.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.578 ' H ' HD12 ' A' ' 142' ' ' LEU . 1.1 mp -60.84 153.68 62.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 11.44 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 142' ' ' LEU . 1.8 m -77.3 -53.36 7.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -85.8 151.57 25.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.39 30.39 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.7 t -122.9 130.43 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 10.7 t -72.78 -46.95 50.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -104.37 150.11 24.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.819 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -80.21 174.55 11.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.9 -120.88 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -147.05 136.53 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -66.96 -54.11 25.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.44 -48.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.1 t -106.51 108.9 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.39 . . . . 0.0 110.885 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 10' ' ' LYS . 2.2 tt -65.57 155.69 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.711 ' N ' HD23 ' A' ' 9' ' ' LEU . 1.7 mppt? -59.51 123.77 17.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.4 p -59.6 -52.51 65.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.503 HG21 ' HA ' ' A' ' 133' ' ' LYS . 16.4 p -47.01 -32.72 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -46.68 66.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -57.56 -41.42 80.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.499 ' N ' ' CD1' ' A' ' 15' ' ' TRP . 9.9 m0 -62.46 -62.1 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.76 -33.66 10.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.59 -49.25 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.7 m -164.32 164.48 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 112' ' ' PHE . 56.6 tp -64.79 -45.83 84.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 23' ' ' LEU . 48.0 mt-10 -45.75 -65.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -38.47 -45.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 32' ' ' PHE . 6.0 tp -62.97 -44.37 96.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.538 HD13 ' CH2' ' A' ' 48' ' ' TRP . 38.2 mt -64.23 -43.67 94.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -56.13 11.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' HG23 ' A' ' 29' ' ' VAL . 12.2 t70 -53.47 139.88 47.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.638 0.732 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.8 Cg_endo -69.8 -42.84 3.02 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.45 -41.78 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.78 -41.32 97.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 25' ' ' ASP . 94.9 t -66.16 -41.84 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.118 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -50.2 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' H ' ' HD2' ' A' ' 31' ' ' ARG . 1.4 mpt_? -51.63 -50.1 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.73 ' CD1' HD21 ' A' ' 22' ' ' LEU . 2.1 t80 -41.52 -44.6 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -73.41 -33.7 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' ARG . 71.1 mm-40 -66.32 -45.09 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -40.25 63.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.17 -52.13 65.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -47.81 -37.24 13.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -53.03 -47.77 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -93.4 11.08 29.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 57.83 38.27 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.5 m -114.38 16.82 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' OE2' HD11 ' A' ' 46' ' ' LEU . 25.8 tt0 -70.06 -31.24 68.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 4.6 pt-20 -54.38 -20.43 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -63.62 -60.74 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 46' ' ' LEU . 23.2 m -66.33 -45.11 90.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.52 ' N ' HG23 ' A' ' 45' ' ' VAL . 16.9 mt -41.85 -37.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -80.44 -35.21 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.538 ' CH2' HD13 ' A' ' 23' ' ' LEU . 88.6 t90 -65.23 -52.16 56.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.72 -55.11 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.65 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.2 m -47.73 -62.73 1.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.05 -55.91 17.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -46.86 -42.45 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -56.68 -57.12 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 15.2 ptpt -61.68 -29.2 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 16.8 mtmm -63.19 -33.96 76.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.1 mtm -71.52 126.77 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -84.91 -50.03 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -52.68 128.27 25.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' CD ' ' HG3' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -70.41 -54.42 12.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.6 m -40.5 -56.56 2.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -52.68 -38.46 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.4 mtp -69.08 -43.0 75.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.415 ' HG3' ' CD ' ' A' ' 60' ' ' LYS . 99.2 mt-30 -42.61 -38.91 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -80.7 -64.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -40.15 -34.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.99 -67.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.536 ' CB ' HD13 ' A' ' 96' ' ' LEU . 2.5 ptmm? -62.89 -33.75 75.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -49.5 -58.27 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.4 mt -63.51 -48.13 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.636 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.4 t80 -57.02 -31.39 65.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.4 mmt -82.96 0.66 43.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.52 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 15.8 m -94.99 -72.35 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 1.5 m-85 -98.07 -61.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 71' ' ' TYR . 24.7 mt -37.9 -38.27 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.8 t -62.51 154.61 28.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -78.73 156.59 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.78 32.49 14.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.52 ' HB1' ' O ' ' A' ' 73' ' ' THR . . . -71.97 133.18 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 m -44.91 -25.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 2.0 m -151.67 109.72 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -109.51 150.29 28.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.2 m -99.38 165.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -98.59 126.18 44.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 88' ' ' GLN . 22.0 m -153.15 173.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -58.46 -54.53 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.72 85.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.539 ' HB3' HG21 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -74.64 -39.65 61.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.411 ' C ' ' N ' ' A' ' 91' ' ' LEU . 14.9 m -42.35 -27.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -45.08 -21.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.716 HD22 HD12 ' A' ' 95' ' ' ILE . 45.5 mt -81.33 161.38 23.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.822 ' O ' HG22 ' A' ' 95' ' ' ILE . 64.9 m-20 -153.75 152.48 30.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -40.14 -26.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -61.96 -46.43 89.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.822 HG22 ' O ' ' A' ' 92' ' ' ASN . 5.8 tt -46.61 -21.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.536 HD13 ' CB ' ' A' ' 68' ' ' LYS . 57.2 mt -73.89 -37.36 64.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 96' ' ' LEU . 48.3 mt-10 -34.03 -58.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 49.7 mt-10 -109.35 102.02 47.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.2 Cg_endo -69.75 127.22 14.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.486 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 0.3 OUTLIER -154.5 148.73 19.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 5.55 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 2.5 mt -97.08 -20.29 18.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.572 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 7.9 ptm -59.48 -26.75 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 103' ' ' MET . 8.9 m-85 -116.12 -21.41 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -41.53 -51.24 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -62.82 -68.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -38.42 -45.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.446 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 44.6 tt0 -43.56 -65.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' GLN . 11.2 t70 -36.29 -58.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -44.7 -56.53 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.49 -48.42 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.463 ' CD1' HD23 ' A' ' 19' ' ' LEU . 31.2 t80 -42.25 -51.97 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.35 -45.14 56.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 tp -40.29 -68.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 120' ' ' TYR . 17.6 mtm -62.79 -18.2 62.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -65.84 -36.45 83.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.27 -5.61 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -92.54 -67.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 122' ' ' ARG . 22.1 p -97.08 -60.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 115' ' ' MET . 9.6 t80 -34.95 -43.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -41.75 99.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 119' ' ' SER . 6.2 ttp-105 -74.71 -37.74 62.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 126' ' ' SER . 35.6 t80 -50.82 -58.45 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 68.0 mt -43.64 -41.67 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -25.46 56.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 123' ' ' PHE . 22.6 t -57.98 175.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 129' ' ' PHE . 6.3 p-10 -91.85 -48.32 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 128' ' ' LEU . 1.9 tt -33.65 -34.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' ASP . 20.9 t80 -89.86 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 131' ' ' LYS . 35.1 mt -36.24 -59.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 130' ' ' LEU . 40.9 mttt -34.74 -54.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.882 ' O ' HG22 ' A' ' 135' ' ' THR . 12.4 t60 -72.12 -43.03 65.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.503 ' HA ' HG21 ' A' ' 12' ' ' THR . 6.7 ttpp -43.69 -34.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 136' ' ' GLU . 15.3 mmt180 -48.01 -50.5 27.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.882 HG22 ' O ' ' A' ' 132' ' ' HIS . 9.9 t -36.52 -32.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 134' ' ' ARG . 7.5 tt0 -54.55 -57.33 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.8 132.3 54.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -105.99 168.2 9.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.9 -19.56 57.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.69 136.29 56.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.43 8.31 23.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 78.9 mt -72.25 149.69 91.77 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.617 0.723 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -175.89 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.25 . . . . 0.0 112.367 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 49.1 m -121.0 163.96 17.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -137.06 144.7 16.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 138.87 38.57 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 t -85.28 -50.81 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 5.0 m -56.75 -51.59 68.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -70.05 -53.77 16.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -85.15 172.84 10.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.809 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.04 -107.89 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -68.25 -47.73 66.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.83 0.347 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.8 p -61.68 -38.1 86.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 38.15 58.15 1.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.7 m -55.37 -37.39 67.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.42 174.23 5.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.01 126.97 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.47 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 69.4 p -97.94 -49.45 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.665 HG21 ' N ' ' A' ' 133' ' ' LYS . 24.7 p -54.18 -60.28 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.04 -44.77 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -58.83 -49.69 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CE3' ' HA ' ' A' ' 12' ' ' THR . 7.5 m0 -58.96 -49.36 78.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . . . -60.23 -41.02 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.049 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.49 -57.49 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -154.61 141.19 18.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 tp -48.84 -48.66 41.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -42.77 -52.5 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 76.9 m-20 -51.96 -36.65 50.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.448 HD21 ' CG ' ' A' ' 32' ' ' PHE . 3.2 tp -73.31 -42.49 62.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.66 HD13 ' CH2' ' A' ' 48' ' ' TRP . 40.3 mt -64.48 -46.3 83.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 13.6 pt-20 -58.33 -42.81 87.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.1 m-20 -73.01 134.81 80.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.611 0.72 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.89 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -55.06 -45.0 75.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.4 -57.17 21.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.708 HG12 ' HE ' ' A' ' 33' ' ' ARG . 78.7 t -42.09 -44.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -52.79 -61.29 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -51.63 -46.23 63.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.4 t80 -53.04 -57.17 11.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.708 ' HE ' HG12 ' A' ' 29' ' ' VAL . 37.8 mtm180 -46.42 -63.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' ARG . 2.9 mm-40 -32.86 -59.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -51.71 -67.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.641 HD22 HD21 ' A' ' 44' ' ' ASN . 74.7 mt -45.85 -58.76 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -37.55 -40.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -50.09 -45.51 52.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' OE1' ' NH2' ' A' ' 122' ' ' ARG . 8.6 pt-20 -95.05 13.55 24.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 53.04 44.9 29.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 33.7 m -116.82 -13.67 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.714 ' OE2' HD21 ' A' ' 46' ' ' LEU . 25.7 tt0 -39.72 -37.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 19.3 pm0 -36.7 -27.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.641 HD21 HD22 ' A' ' 36' ' ' LEU . 1.3 p30 -61.1 -59.87 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 42' ' ' GLU . 29.8 m -65.02 -39.65 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.714 HD21 ' OE2' ' A' ' 42' ' ' GLU . 95.3 mt -53.63 -38.08 63.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 2.2 t80 -83.74 -39.67 19.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.66 ' CH2' HD13 ' A' ' 23' ' ' LEU . 76.5 t90 -56.75 -52.24 65.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' CZ3' ' A' ' 48' ' ' TRP . 4.8 mt -55.47 -43.31 75.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.6 71.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.4 m -48.85 -62.66 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 11.6 mm-40 -52.67 -61.5 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -40.61 -44.47 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE1' ' HG2' ' A' ' 63' ' ' MET . 55.6 t80 -54.03 -63.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 16.8 ptpt -55.5 -35.42 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 29.2 mtpp -57.8 -44.29 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 63.8 mtm -58.41 130.98 49.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -87.76 -44.75 10.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -53.58 136.67 38.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -78.64 -51.41 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.3 m -43.86 -58.08 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.7 -42.4 62.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.449 ' HG2' ' CE1' ' A' ' 54' ' ' PHE . 40.5 mtp -60.51 -44.95 95.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -48.94 -42.85 38.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 40.7 mt-10 -77.88 -55.27 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -50.64 -32.92 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.34 -68.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.498 ' HA ' HD22 ' A' ' 96' ' ' LEU . 14.5 ptmt -56.66 -42.41 78.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.91 -59.51 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.7 mt -57.15 -49.61 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -53.51 -44.48 69.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.463 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 97.3 mmm -68.07 -2.23 7.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 m -94.24 -69.26 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 47' ' ' PHE . 2.3 m-85 -100.81 -36.13 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.901 HD13 ' CD1' ' A' ' 91' ' ' LEU . 15.7 mt -76.49 17.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' A' ' 72' ' ' MET . 2.3 t -120.38 170.16 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.5 m -82.55 153.57 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.13 37.07 11.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 82' ' ' GLN . . . -91.77 116.84 29.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -68.56 -43.65 76.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.451 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 1.7 m -89.07 17.89 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.55 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 6.4 tt0 -54.29 113.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.33 175.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -118.11 113.02 20.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' HB ' ' NE2' ' A' ' 110' ' ' GLN . 35.2 m -149.8 164.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -96.05 122.09 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.79 44.59 14.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 90' ' ' ARG . 1.7 tm0? -73.16 -54.63 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' ARG . 42.7 t -44.62 -21.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 88' ' ' GLN . 17.0 ttm180 -37.52 -33.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.901 ' CD1' HD13 ' A' ' 75' ' ' LEU . 1.5 pt? -92.16 159.73 15.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.606 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.5 m120 -151.85 159.68 43.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 92' ' ' ASN . 2.4 mp0 -31.91 -38.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 92' ' ' ASN . 46.7 mmtt -49.89 -49.18 50.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 92' ' ' ASN . 13.0 tt -42.48 -24.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 68' ' ' LYS . 44.1 mt -73.71 -38.76 64.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' LYS . 52.1 mt-10 -33.04 -59.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 5.8 pt-20 -111.35 102.03 52.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.68 0.752 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.0 Cg_endo -69.75 131.77 21.94 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -157.23 148.06 16.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 0.0 110.832 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.456 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 52.9 Cg_endo -69.84 18.12 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 100' ' ' HIS . 9.1 mt -112.43 -27.92 8.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.51 ' HB2' HD11 ' A' ' 95' ' ' ILE . 7.8 ptm -47.77 -43.37 27.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' GLN . 9.2 m-85 -96.3 -36.93 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 104' ' ' PHE . 19.5 tm0? -33.37 -44.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -63.19 -62.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 108' ' ' GLN . 15.3 mt -53.32 -52.01 60.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.537 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 62.0 tt0 -38.04 -53.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -41.62 -45.97 3.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.444 ' NE2' ' HB ' ' A' ' 85' ' ' VAL . 26.9 mt-30 -60.36 -61.05 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.438 ' N ' ' CD1' ' A' ' 111' ' ' ILE . 0.4 OUTLIER -52.26 -56.82 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' ILE . 89.7 t80 -37.4 -40.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.568 ' OD1' ' CD1' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -81.55 -43.75 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 113' ' ' ASN . 14.4 tp -36.01 -60.21 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.425 ' SD ' HG23 ' A' ' 111' ' ' ILE . 2.0 mpp? -66.59 -40.29 88.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 120' ' ' TYR . 19.5 ttpt -47.34 -23.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.568 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 25.0 m-85 -117.91 -30.33 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.64 -69.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 121' ' ' SER . 32.6 p -90.55 -59.09 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.507 ' CB ' ' HA ' ' A' ' 116' ' ' LYS . 56.9 t80 -34.59 -30.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 119' ' ' SER . 3.7 m -77.73 -68.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.448 ' NH2' ' OE1' ' A' ' 39' ' ' GLU . 14.6 ptt180 -63.15 -49.06 75.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -39.87 -54.0 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.0 mt -54.15 -44.42 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -70.58 -29.04 65.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 m -62.8 176.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 128' ' ' LEU . 1.0 OUTLIER -82.55 -43.51 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 127' ' ' ASP . 12.0 mt -33.43 -37.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 16' ' ' ALA . 26.3 t80 -98.0 -67.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' PHE . 12.3 mt -37.61 -46.92 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -60.03 3.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -55.31 -57.12 13.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.665 ' N ' HG21 ' A' ' 12' ' ' THR . 27.8 tttp -44.67 -58.62 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 134' ' ' ARG . 0.9 OUTLIER -45.2 -52.98 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 81.3 m -46.21 -45.95 17.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.7 173.78 12.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -88.94 138.22 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -81.08 165.02 22.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -93.96 173.94 7.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.02 169.84 8.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.05 36.12 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 57.3 mt -54.02 140.27 52.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.581 0.705 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 107.0 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.745 2.296 . . . . 0.0 112.351 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.2 p -63.93 -55.07 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 121.58 148.06 7.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.64 33.48 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 75.4 m -74.76 -62.04 1.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.3 t -132.83 124.38 27.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.545 -179.985 . . . . . . . . 0 0 . 1 stop_ save_