data_2d89_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 2d89 _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 ' 12' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' A' ' 13' ' ' SER . 1.2 tm0? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' OE1' ' A' ' 12' ' ' GLN . 9.3 t -43.81 -48.83 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' VAL . 32.0 tp -65.72 -68.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' LEU . 4.9 tp -37.57 -30.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' LEU . 89.5 t -81.22 -49.38 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -48.3 -44.31 33.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 p -71.28 -45.52 62.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -65.24 -22.33 66.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -75.27 -61.77 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.475 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.4 m -58.36 -18.9 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.2 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 31' ' ' THR . 19.5 tttp -121.51 86.84 2.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mp -64.96 73.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' LYS . 32.8 p -79.98 -38.79 31.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.6 OUTLIER -136.59 165.49 25.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.555 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 34.1 m-85 -101.88 6.92 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.424 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 25.3 p -107.32 -60.81 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 38' ' ' ARG . 22.2 p -80.94 -54.06 5.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' ASN . 1.8 t -37.34 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.555 ' CD1' ' HA ' ' A' ' 33' ' ' PHE . 16.0 m95 -106.7 -21.51 13.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 35' ' ' THR . 27.9 ttp180 -37.53 -49.09 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 p30 -73.57 -51.33 17.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.37 34.48 1.1 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.8 -61.7 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.495 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 50.7 m -53.34 -33.89 55.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -62.06 -43.09 99.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.3 m -78.85 -34.37 45.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.24 -47.24 86.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.62 -59.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.7 tp -54.81 -28.75 51.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 53.9 t-80 -73.93 -29.69 62.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.475 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 25.1 t60 -59.17 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -75.47 -52.62 10.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.68 88.1 54.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -5.05 15.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.226 . . . . 0.0 112.382 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.52 17.33 23.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.12 -35.53 8.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -118.88 -179.11 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.83 25.43 11.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 23.2 t80 -50.13 -20.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -60.55 -32.47 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -129.22 34.0 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.7 mt -91.81 -175.06 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.7 m120 -173.35 159.71 3.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 3.26 2.87 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.623 2.215 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.45 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.6 pp0? -80.37 -7.72 59.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 14.9 m-20 -117.48 113.59 22.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.8 mt -96.65 -48.13 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -69.66 -56.12 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' ASN . 2.3 tp10 -54.08 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' GLU . 73.3 m-20 -34.35 -41.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 2.4 m-80 -73.08 -52.79 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -52.32 -48.34 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -50.26 -45.56 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.98 -67.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.4 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 8.4 m-85 -43.23 -32.17 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -68.02 -42.7 80.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 78' ' ' SER . . . -79.95 -54.93 3.7 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -52.13 -53.64 40.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.99 -8.06 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 2.5 t -72.67 -35.79 67.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.413 HD11 ' NE2' ' A' ' 111' ' ' HIS . 11.2 pt -84.42 -23.74 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.48 27.88 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.408 HD13 ' CD1' ' A' ' 79' ' ' ILE . 96.4 mt -99.6 95.91 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.6 m -44.19 138.87 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.06 128.41 35.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.4 mt -113.2 -40.54 3.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 tp -96.54 150.97 20.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -110.85 146.07 33.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.7 Cg_endo -69.81 -43.14 2.79 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 p -61.73 -53.04 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -37.84 -55.78 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mmt -42.56 -40.74 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 t -79.5 -41.91 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.3 mt -53.08 -27.48 20.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.31 -174.9 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.43 -66.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.109 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.2 mm -107.1 128.06 26.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.424 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.0 Cg_endo -69.76 -178.53 2.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -92.51 107.31 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -48.32 -43.74 33.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.12 -48.89 79.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.7 m -62.28 -62.56 1.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.3 t -42.67 -62.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.6 mtp -44.56 -47.15 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.8 m -52.27 -53.73 40.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -59.28 -46.11 89.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.485 HD21 ' CH2' ' A' ' 37' ' ' TRP . 13.7 mt -52.36 -56.87 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -41.38 -43.1 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -53.78 -60.18 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.1 mp -50.82 -55.83 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 -54.4 -34.05 60.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.37 64.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.413 ' NE2' HD11 ' A' ' 79' ' ' ILE . 29.6 t60 -49.34 -62.18 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.438 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 27.6 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.7 p -63.9 -40.54 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.3 tp -57.07 -61.36 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 3.5 tp -53.9 -20.96 6.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 12' ' ' GLN . 49.7 t -90.91 -32.0 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.404 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 78.7 t90 -65.27 -45.23 85.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -72.06 -31.52 66.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 19.5 mtpt -80.64 -30.01 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -69.23 -49.83 52.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.566 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 4.5 m -67.94 -25.35 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.1 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.427 ' CG2' ' OH ' ' A' ' 57' ' ' TYR . 61.9 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.884 0.374 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -119.58 85.8 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.411 HD12 ' CG1' ' A' ' 28' ' ' VAL . 5.3 mp -68.84 74.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -81.59 -30.66 32.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -137.57 -179.51 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.501 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 27.5 m-85 -117.51 24.88 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 35.0 p -124.7 -71.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.2 p -75.12 -47.73 27.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 t -44.71 -22.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.548 ' CZ3' HD22 ' A' ' 105' ' ' LEU . 55.5 m95 -110.83 -25.08 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -37.85 -48.66 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -67.04 -46.24 75.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 105.67 29.4 5.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.75 -61.29 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.544 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 74.1 m -50.92 -32.61 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -64.32 -46.2 84.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.0 m -75.01 -37.02 61.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.33 86.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.6 mt -57.74 -59.47 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.437 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 27.7 tp -57.7 -25.79 60.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 65.1 t-80 -81.64 -21.14 38.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.566 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 34.7 t60 -66.21 -59.33 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.441 ' CE2' ' CD2' ' A' ' 112' ' ' PHE . 19.2 m-85 -72.1 -42.04 66.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 1.1 tpm_? -134.15 83.51 44.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.498 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.78 -0.81 7.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -100.74 14.35 31.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' CG ' ' A' ' 51' ' ' ARG . 32.9 mt -106.1 -27.42 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.7 -176.11 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -117.33 26.68 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.481 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 13.7 t80 -51.08 -20.01 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -61.58 -31.02 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.4 t -130.63 33.95 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CD1' ' HE3' ' A' ' 71' ' ' LYS . 10.3 mt -91.34 -177.69 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -166.53 160.05 11.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 3.28 2.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.413 ' C ' ' OE1' ' A' ' 63' ' ' GLN . 1.8 pp0? -80.25 -11.75 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -112.04 113.49 25.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.0 mt -102.14 -54.47 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -71.86 -33.98 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.43 -61.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.42 ' HA ' ' NZ ' ' A' ' 71' ' ' LYS . 35.5 m-20 -40.5 -51.05 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.566 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.7 m-80 -61.39 -57.95 10.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -43.02 -46.82 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 60' ' ' LEU . 28.6 mtmm -51.78 -57.79 8.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -51.8 -63.87 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 13.5 m-85 -38.22 -29.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' ALA . 7.9 t70 -77.16 -45.15 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -71.79 -39.1 60.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 27.5 m-85 -74.62 -46.03 41.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 73' ' ' TYR . . . -68.61 -23.4 64.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -58.68 -44.18 90.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' CG1' ' O ' ' A' ' 76' ' ' PHE . 11.2 pt -72.93 -35.53 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.29 40.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' SER . 64.5 mt -111.23 94.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ILE . 24.8 m -37.38 135.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -86.8 104.6 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -85.35 -53.73 5.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 tp -83.94 147.76 27.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -109.15 148.47 38.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.455 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.77 -46.66 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.0 t -63.99 -60.33 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -34.44 -46.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.497 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 5.8 mmm -51.51 -46.32 63.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 88' ' ' SER . 25.9 t -67.63 -46.75 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.8 mt -48.01 -63.96 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 pp -79.75 174.83 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.33 -63.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 43.7 mm -114.53 128.78 25.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.4 Cg_endo -69.73 152.23 69.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.381 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.35 99.93 1.28 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 34' ' ' THR . 26.1 ttpt -39.28 -47.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 74.2 mt -51.13 -51.11 56.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 101' ' ' VAL . 27.5 m -58.6 -72.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 100' ' ' THR . 95.4 t -36.75 -58.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.9 mtp -46.26 -49.1 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.3 m -54.21 -33.65 58.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -76.56 -44.45 34.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.548 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 16.6 mt -53.74 -51.29 63.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -47.17 -36.99 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.563 ' O ' ' CD2' ' A' ' 111' ' ' HIS . 51.8 mm-40 -61.92 -61.37 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.1 mp -53.47 -57.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.404 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -53.47 -34.75 59.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.15 -56.1 10.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 107' ' ' GLN . 57.3 m-70 -56.87 -52.16 66.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.441 ' CD2' ' CE2' ' A' ' 50' ' ' PHE . 10.3 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 m -45.27 -37.95 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.9 tp -60.96 -66.91 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 4.7 tp -42.15 -42.69 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.79 -48.86 68.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 86.6 t90 -45.47 -48.25 13.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 m -64.74 -67.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -43.76 -24.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.35 -57.68 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.557 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 6.3 m -60.82 -25.33 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.461 ' N ' HG23 ' A' ' 21' ' ' VAL . 65.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.877 0.37 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -121.71 108.43 13.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mp -93.25 75.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -79.42 -29.41 41.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -139.5 179.64 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 15' ' ' LEU . 35.3 m-85 -118.4 23.12 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.5 p -117.44 -73.31 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.3 p -80.66 -40.26 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 t -45.72 -26.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.516 ' CD1' ' HA ' ' A' ' 33' ' ' PHE . 28.4 m95 -110.35 -21.01 12.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.426 ' CZ ' HD12 ' A' ' 65' ' ' ILE . 15.2 ttt-85 -39.82 -44.93 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -68.99 -52.39 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.1 30.65 2.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 mt -81.67 -66.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.417 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 53.2 m -46.52 -39.96 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 15.1 m-85 -56.82 -56.08 26.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.6 m -65.29 -37.32 86.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.2 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.6 mt -55.93 -59.41 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.4 tp -53.67 -31.07 46.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 33.9 t-80 -74.53 -34.03 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.557 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 32.6 t60 -53.84 -47.71 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -76.89 -44.53 31.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 5.9 mmt180 -133.12 96.95 17.02 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.606 0.717 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 3.53 2.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -120.87 28.36 7.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -109.98 -37.21 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.3 -177.18 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -113.86 29.61 7.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -54.32 -26.13 27.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -61.77 -20.66 63.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -132.09 26.61 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.9 mt -92.47 -175.15 3.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.9 m120 -171.49 159.62 4.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 2.97 3.1 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.84 -8.33 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.42 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 10.5 m-20 -116.57 112.68 21.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.426 HD12 ' CZ ' ' A' ' 38' ' ' ARG . 14.3 mt -95.8 -48.3 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 91' ' ' VAL . 1.3 ttmp? -75.52 -49.86 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' ASN . 11.5 tt0 -58.92 -65.06 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' GLU . 29.8 m-20 -34.93 -56.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.487 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 17.1 m-80 -59.89 -48.24 82.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -52.41 -44.84 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -47.42 -55.59 8.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -58.13 -65.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 19.6 m-85 -34.63 -48.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -57.82 -45.86 85.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -73.49 -55.93 5.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -50.27 -52.15 38.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.84 -7.54 28.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 4.0 t -74.31 -38.14 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.2 pt -83.39 -29.27 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.06 32.17 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.3 mt -105.92 102.08 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.147 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.2 m -56.68 111.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -67.8 102.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.24 -48.41 15.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.31 154.8 23.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -112.79 144.7 31.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.711 0.767 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.482 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.1 Cg_endo -69.81 -46.44 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.298 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.3 m -60.09 -48.01 83.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -43.62 -49.98 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -46.95 -38.22 10.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 66' ' ' LYS . 33.6 t -79.83 -45.9 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.5 mt -48.86 -60.48 2.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 pp -88.39 -178.78 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.42 -65.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.4 mm -109.38 125.07 32.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.08 54.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.375 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LYS . 0.7 OUTLIER -79.99 98.45 7.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 97' ' ' ASP . 23.0 ttpt -35.62 -54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.4 mt -44.56 -48.3 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.0 m -63.4 -62.0 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.9 t -47.79 -61.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 24.9 mtp -42.56 -47.34 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.6 m -54.47 -54.43 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -53.88 -54.32 40.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.516 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 17.6 mt -42.81 -60.58 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -38.43 -37.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -59.81 -55.26 36.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.2 mp -58.08 -58.88 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.478 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.42 -41.03 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.89 -46.01 79.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -47.21 -60.68 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 t -42.19 -50.52 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 33' ' ' PHE . 13.3 tp -65.65 -59.92 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD11 ' CE2' ' A' ' 33' ' ' PHE . 4.4 tp -38.85 -41.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.6 t -68.84 -56.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 78.7 t90 -41.91 -49.06 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 m -61.24 -48.76 79.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -65.28 -24.66 67.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.46 -60.29 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 m -58.22 -18.52 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.9 0.381 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -117.13 103.18 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -84.62 58.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 48.3 p -71.26 -27.35 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -140.01 171.14 14.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.532 ' CE1' HD22 ' A' ' 14' ' ' LEU . 36.4 m-85 -114.5 34.57 4.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.8 p -131.59 -67.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 37' ' ' TRP . 63.5 p -80.47 -49.2 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -38.89 -27.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 26.9 m95 -107.33 -26.95 10.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' THR . 23.6 ttp85 -35.76 -49.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -66.43 -46.78 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.79 29.36 4.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -80.85 -68.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.2 m -43.63 -37.78 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.44 -54.85 41.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.9 m -66.79 -35.97 81.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB1' ' CE2' ' A' ' 57' ' ' TYR . . . -62.33 -49.15 76.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.84 -54.71 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 44.5 tp -62.0 -24.7 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.6 t-80 -79.83 -30.65 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -55.12 -62.44 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -61.01 -51.94 67.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 14.2 tpp180 -129.4 93.28 36.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.466 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 2.97 3.06 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -112.9 28.6 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.1 mt -114.01 -34.15 5.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.404 ' CG2' ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.35 -176.4 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.404 ' H ' ' CG2' ' A' ' 55' ' ' ILE . 2.6 m-20 -112.78 28.98 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 23.3 t80 -55.79 -18.48 8.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -68.88 -21.05 64.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -132.76 23.6 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.4 mt -86.78 -174.94 5.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.2 m120 -171.63 159.91 4.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.29 2.85 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.737 2.292 . . . . 0.0 112.328 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' C ' ' OE1' ' A' ' 63' ' ' GLN . 1.7 pp0? -80.13 -11.47 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -112.05 114.23 26.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.41 HD13 ' NH1' ' A' ' 38' ' ' ARG . 18.5 mt -100.39 -44.13 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HD2' ' CB ' ' A' ' 88' ' ' SER . 13.9 ttpt -79.34 -42.75 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 68' ' ' ASN . 4.5 tp10 -66.55 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' GLU . 21.3 m-20 -35.59 -53.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -62.28 -47.32 84.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -53.33 -47.18 69.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -47.85 -59.53 3.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -48.48 -71.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' ALA . 7.9 m-85 -34.07 -51.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -51.96 -46.22 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.89 -54.32 4.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 29.0 m-85 -49.84 -56.12 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.46 -8.56 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.051 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 3.2 t -74.31 -37.46 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.1 pt -83.45 -31.36 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.7 35.83 0.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.8 mt -109.47 93.63 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.7 p -44.27 129.64 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.22 124.5 28.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.4 mt -107.43 -50.82 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.7 tp -90.2 147.62 23.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -102.28 145.85 31.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.732 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.3 Cg_endo -69.78 -43.22 2.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.64 2.227 . . . . 0.0 112.337 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ASP . 88.2 p -67.06 -50.87 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' SER . 1.5 m-20 -36.67 -47.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.2 mmt -50.13 -47.84 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.8 t -68.17 -49.34 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.1 mt -41.94 -59.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 93' ' ' LEU . 1.1 pp -95.06 -179.43 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.42 -67.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.5 mm -111.08 130.31 23.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.623 0.725 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.18 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.242 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 98' ' ' LYS . 23.8 m-20 -100.03 98.17 8.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 97' ' ' ASP . 16.6 tttp -34.33 -54.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.2 mt -51.11 -54.58 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 98.7 m -53.56 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.6 t -43.27 -60.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.502 ' HE1' ' CE2' ' A' ' 33' ' ' PHE . 30.8 mtp -47.93 -47.14 32.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.3 m -51.01 -51.68 50.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -59.9 -50.24 74.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.546 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 12.2 mt -47.06 -59.61 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 105' ' ' LEU . 21.9 m-85 -37.57 -43.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -53.87 -60.66 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.2 mp -48.17 -53.4 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.544 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 31.9 ttt-85 -60.79 -36.85 80.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.51 84.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -52.96 -61.58 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' SER . 28.7 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' GLN . 68.3 m -36.3 -70.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.449 HD23 ' CE1' ' A' ' 106' ' ' TYR . 47.2 tp -44.85 -53.04 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -52.16 -33.16 39.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.4 t -76.54 -46.28 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.518 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 75.0 t90 -48.68 -45.78 39.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 m -71.05 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -48.9 -26.21 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -73.12 -56.86 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 22' ' ' THR . 14.1 m -62.52 -23.34 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 21' ' ' VAL . 32.7 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.922 0.392 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -119.0 93.33 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 30' ' ' ILE . 5.2 mp -73.35 67.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m -80.71 -18.73 46.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -143.12 179.97 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CD1' ' SD ' ' A' ' 102' ' ' MET . 25.8 m-85 -124.9 22.07 8.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.0 p -126.76 -70.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.3 p -74.93 -46.28 36.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -45.16 -25.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.458 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 56.4 m95 -106.45 -24.72 12.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.478 ' NH1' ' CD1' ' A' ' 65' ' ' ILE . 19.5 ttp85 -37.05 -53.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -61.67 -42.82 99.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.02 33.24 4.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -87.02 -65.88 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.458 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 58.5 m -49.68 -27.4 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -69.66 -49.1 56.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.6 m -72.2 -40.75 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.09 -54.91 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.9 mt -48.68 -65.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 tp -50.58 -26.59 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 46.3 t-80 -74.69 -36.72 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.426 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 10.0 t60 -50.29 -55.55 14.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.54 -43.47 63.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -134.97 93.43 17.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.512 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 3.29 2.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -108.69 -28.43 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.31 -34.44 57.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.65 -177.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -115.3 27.44 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 13.4 t80 -54.16 -20.31 6.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -63.55 -23.24 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.2 t -134.4 30.3 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.1 mt -92.21 -174.83 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.7 m120 -173.33 159.75 3.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.39 2.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.6 pp0? -81.08 -5.37 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 9.5 m-20 -120.38 113.3 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.478 ' CD1' ' NH1' ' A' ' 38' ' ' ARG . 15.8 mt -97.83 -46.77 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -74.88 -48.46 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 37.7 tt0 -61.34 -65.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' GLU . 17.3 m-20 -35.19 -55.42 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.33 -46.23 91.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -55.03 -38.27 67.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -52.28 -54.35 32.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -57.98 -64.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.107 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.426 ' CD2' ' HD3' ' A' ' 87' ' ' PRO . 16.3 m-85 -37.83 -28.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' ALA . 19.6 t70 -85.59 -41.66 15.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.44 -50.93 8.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -58.31 -31.3 67.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.71 -4.2 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.4 m -71.59 -35.61 70.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.403 ' H ' ' CD1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -91.2 -36.22 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.52 42.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.8 mt -107.62 88.29 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.6 m -40.63 130.06 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -81.88 115.67 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 67.4 mt -98.4 -50.31 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.9 tp -85.43 147.27 26.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -105.0 148.15 35.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.426 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.7 Cg_endo -69.79 -45.76 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.0 p -62.59 -41.63 99.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -48.36 -50.7 29.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.0 mmt -50.6 -28.02 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.4 t -87.72 -46.31 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.8 mt -47.49 -68.07 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 pp -81.89 176.16 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.21 -64.19 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.8 mm -112.94 125.78 29.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.23 19.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 100' ' ' THR . 5.9 m-20 -83.79 96.2 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 97' ' ' ASP . 21.7 tttt -34.33 -41.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.3 -49.95 74.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 103' ' ' THR . 89.6 m -59.32 -73.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' THR . 98.0 t -34.42 -56.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.531 ' SD ' ' CD1' ' A' ' 33' ' ' PHE . 26.1 mmm -52.29 -42.65 63.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 100' ' ' THR . 97.9 m -57.64 -38.46 75.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -73.01 -43.49 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.429 HD21 ' CH2' ' A' ' 37' ' ' TRP . 14.1 mt -52.21 -55.26 22.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.449 ' CE1' HD23 ' A' ' 14' ' ' LEU . 23.8 m-85 -41.73 -34.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -63.14 -59.16 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.0 mp -51.09 -58.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.518 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 9.2 ttt-85 -55.08 -39.41 69.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.12 -51.84 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -51.71 -67.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -52.7 -50.56 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 33' ' ' PHE . 31.3 tp -58.86 -65.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' CD1' HG23 ' A' ' 30' ' ' ILE . 7.7 tp -39.38 -42.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.74 -35.13 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 41.8 t90 -45.29 -49.07 12.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.6 t -69.62 -56.04 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 30' ' ' ILE . 8.1 mtpm? -52.57 -17.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -81.37 -56.71 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.461 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.5 m -68.91 -20.6 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.428 ' CG2' ' OH ' ' A' ' 57' ' ' TYR . 32.5 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -120.37 143.91 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -118.57 56.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.5 m -74.19 -17.61 60.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.172 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -145.79 176.26 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CE1' HD21 ' A' ' 14' ' ' LEU . 8.5 m-85 -120.99 24.67 10.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.419 ' CB ' ' HG2' ' A' ' 96' ' ' PRO . 0.7 OUTLIER -134.5 -69.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.449 ' CG2' HD12 ' A' ' 95' ' ' ILE . 34.5 p -74.5 -31.45 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -61.36 -29.12 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 22.9 m95 -107.09 -18.49 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.1 ttt-85 -37.93 -49.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -64.82 -55.3 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.7 26.55 2.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -78.85 -69.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.519 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 63.4 m -43.32 -33.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 9.4 m-85 -65.51 -54.02 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.7 m -65.78 -39.31 90.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.522 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -59.91 -47.07 87.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mt -56.94 -53.1 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.415 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.6 tp -63.68 -29.39 70.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 61.5 t-80 -74.52 -33.99 62.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.461 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 72.7 t60 -52.95 -60.59 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -61.81 -51.17 69.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -132.84 94.54 21.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.822 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.77 0.58 5.45 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -107.58 20.26 19.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.52 -34.6 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.25 -179.61 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -112.33 31.31 6.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 12.0 t80 -56.81 -21.32 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -64.33 -20.35 66.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -133.85 25.79 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.6 mt -89.3 -174.64 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 4.8 m120 -173.68 160.21 3.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.83 2.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.421 ' C ' ' CD ' ' A' ' 63' ' ' GLN . 1.5 pp0? -82.35 -4.79 57.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -119.65 113.64 20.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.9 mt -98.7 -43.72 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 21.8 ttpt -76.9 -51.99 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 68' ' ' ASN . 3.7 tp10 -56.54 -66.23 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 67' ' ' GLU . 53.3 m-20 -34.37 -49.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.2 m-80 -62.99 -52.09 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -52.79 -44.68 66.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -49.0 -58.51 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.0 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 72' ' ' ALA . 13.6 m-30 -37.85 -39.06 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.43 -42.08 83.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.39 -58.43 4.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -52.7 -46.15 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.29 0.41 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -85.75 -32.54 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 pt -87.11 -30.84 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.17 33.71 0.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -106.71 87.55 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.5 m -47.94 107.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 151.92 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.2 mt -131.48 -49.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 tp -82.59 157.24 23.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HB2' ' CG ' ' A' ' 89' ' ' ASP . 15.9 mt-10 -106.84 142.78 25.72 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.635 0.731 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -43.41 2.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.441 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 59.9 p -68.53 -38.71 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.415 ' CG ' ' HB2' ' A' ' 86' ' ' GLU . 6.8 m-20 -49.05 -51.07 33.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -49.0 -19.57 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.8 t -99.82 -41.97 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.7 mt -51.06 -33.02 23.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.87 178.43 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.57 -66.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.449 HD12 ' CG2' ' A' ' 35' ' ' THR . 3.1 mm -107.72 128.74 25.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.419 ' HG2' ' CB ' ' A' ' 34' ' ' THR . 53.5 Cg_endo -69.8 -171.14 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.99 98.0 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -38.19 -39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.42 -54.16 44.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.1 m -57.77 -67.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -39.74 -60.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.3 mtp -42.99 -52.55 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.5 m -47.54 -44.79 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -67.39 -47.61 69.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 106' ' ' TYR . 20.4 mt -51.32 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 105' ' ' LEU . 43.7 m-85 -34.24 -40.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -60.02 -56.83 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.0 mp -53.66 -50.67 49.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 18.6 ttp180 -60.03 -39.1 84.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.55 76.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -48.03 -50.54 27.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 p -42.07 -68.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' TRP . 20.5 tp -41.45 -60.18 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -46.06 -30.24 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.8 t -87.68 -26.76 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.457 ' CG ' ' HG3' ' A' ' 109' ' ' ARG . 74.0 t90 -68.34 -38.45 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -75.92 -49.89 16.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -61.77 -16.15 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -81.55 -57.04 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.475 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.0 m -65.86 -21.21 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.461 ' HB ' ' CG1' ' A' ' 28' ' ' VAL . 80.4 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG1' ' HB ' ' A' ' 22' ' ' THR . 60.9 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.885 0.374 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 130.91 50.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mp -120.28 84.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -98.04 -24.13 15.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -146.52 164.09 33.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CD2' ' HE3' ' A' ' 102' ' ' MET . 51.4 m-85 -105.41 40.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 p -133.33 -74.41 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.454 HG23 ' CD1' ' A' ' 95' ' ' ILE . 35.2 p -79.66 -39.66 30.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -45.25 -31.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 36.2 m95 -104.98 -21.16 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -40.13 -40.37 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 5.3 p-10 -74.94 -57.05 4.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.83 -22.56 4.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 mt -38.36 -54.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.559 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 51.9 m -59.24 -41.48 88.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.65 -51.13 70.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' ALA . 90.8 m -68.06 -59.44 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' CYS . . . -34.53 -48.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.8 mt -55.27 -59.99 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 37.7 tp -56.36 -24.05 41.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 12.2 t-80 -75.5 -33.84 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.475 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 26.7 t60 -54.76 -47.3 74.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -73.36 -44.35 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 5.3 mmm180 -143.74 105.82 4.97 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 3.18 2.93 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.46 -42.3 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.72 -34.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.41 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -125.11 -175.8 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -117.79 26.73 9.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 15.9 t80 -52.38 -20.12 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -61.24 -26.42 67.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -133.3 33.3 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.7 mt -94.98 -175.42 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.5 m120 -171.9 159.78 4.59 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.5 2.76 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.445 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -78.9 -17.42 55.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 18.3 m-20 -106.26 114.67 28.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 39.7 mt -97.03 -48.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 20.1 ttpt -74.3 -51.52 14.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 68' ' ' ASN . 18.2 tt0 -57.08 -64.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' GLU . 36.0 m-20 -36.56 -50.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.2 m-80 -64.46 -47.5 78.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -54.55 -52.14 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -46.49 -37.77 8.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -69.9 -69.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.479 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 19.0 m-85 -35.78 -41.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -63.56 -45.1 92.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -71.7 -52.02 13.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 62.3 m-85 -60.42 -49.5 77.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.75 -12.07 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 t -67.24 -29.39 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.9 pt -95.71 -29.04 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.95 -23.71 0.9 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.496 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.44 98.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -48.5 177.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 76.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 104' ' ' TYR . 0.6 OUTLIER -56.65 -52.39 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.429 HD22 ' CE ' ' A' ' 90' ' ' MET . 15.9 tp -104.39 160.0 15.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -111.59 149.26 40.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.479 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.4 Cg_endo -69.76 -46.97 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.47 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 90.4 p -64.25 -46.31 84.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -45.01 -51.35 10.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.429 ' CE ' HD22 ' A' ' 85' ' ' LEU . 3.2 mmt -49.78 -30.38 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.3 t -86.73 -43.69 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 76.7 mt -47.85 -46.41 31.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.9 167.79 9.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.03 -50.37 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.454 ' CD1' HG23 ' A' ' 35' ' ' THR . 45.7 mm -124.13 127.25 25.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 173.29 11.18 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 98' ' ' LYS . 21.3 m-20 -91.58 95.14 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' ASP . 7.1 tmtt? -34.42 -45.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.4 mt -53.92 -49.11 69.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' ASP . 98.3 m -65.78 -55.99 14.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.6 t -46.62 -64.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.45 ' HE3' ' CD2' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -41.27 -51.28 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.9 m -47.26 -52.97 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 84' ' ' LEU . 11.4 t80 -55.83 -59.77 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.424 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 31.6 mt -44.58 -56.19 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -42.32 -35.09 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -64.16 -49.97 70.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.422 HG21 ' CH2' ' A' ' 17' ' ' TRP . 4.3 mp -62.48 -58.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.457 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 6.0 ttt85 -47.2 -36.27 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.33 -41.46 56.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -51.57 -56.09 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.868 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' SER . 22.0 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.791 0.329 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' GLN . 81.8 p -35.97 -56.83 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 15' ' ' LEU . 24.8 tp -58.37 -62.53 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.0 tp -37.42 -39.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' TRP . 84.5 t -73.25 -53.59 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.515 ' CG ' ' HG3' ' A' ' 109' ' ' ARG . 61.6 t90 -34.35 -43.74 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.4 t -73.29 -64.35 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -41.16 -36.7 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.5 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 m -54.54 -19.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.432 ' CG1' HD11 ' A' ' 30' ' ' ILE . 84.1 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.904 0.383 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -112.69 100.35 8.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.432 HD11 ' CG1' ' A' ' 28' ' ' VAL . 5.2 mp -84.48 73.82 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -83.18 -28.94 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -137.53 -179.38 5.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 8.2 m-85 -120.55 24.57 10.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 18.0 p -127.78 -62.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.7 p -82.03 -50.69 8.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -43.27 -28.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 43.7 m95 -103.58 -26.83 12.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' TRP . 24.1 ttt-85 -35.92 -52.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 p30 -62.3 -55.02 32.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.93 34.13 1.56 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.3 mt -90.32 -39.56 12.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.554 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 61.4 m -70.35 -26.92 63.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -74.08 -46.26 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.0 m -75.61 -31.42 59.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.509 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . . . -64.88 -44.48 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.442 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 52.6 mt -58.15 -62.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 33.1 tp -52.26 -22.38 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.1 t-80 -75.39 -45.68 37.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -44.84 -48.68 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -74.37 -49.96 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 8.7 tpp180 -134.67 99.55 12.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.577 0.703 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.77 3.42 2.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -104.49 -36.66 7.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.4 mt -45.83 -40.18 9.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.64 -175.09 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.405 ' HB2' ' NZ ' ' A' ' 71' ' ' LYS . 47.1 m-20 -117.67 28.09 8.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.547 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 35.6 t80 -51.48 -18.71 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -63.3 -31.17 72.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -128.3 31.75 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.3 mt -91.19 -175.84 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.5 m120 -171.75 159.79 4.73 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.677 0.751 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 2.95 3.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.69 -10.58 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 10.9 m-20 -113.42 112.62 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.5 mt -100.54 -45.81 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -75.6 -42.35 52.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' ASN . 14.0 tt0 -67.89 -67.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 67' ' ' GLU . 31.4 m-20 -34.21 -57.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 8.0 m-80 -56.1 -55.88 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -48.82 -43.33 38.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.405 ' NZ ' ' HB2' ' A' ' 56' ' ' ASP . 6.8 mtpt -49.08 -58.55 4.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -53.56 -66.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.489 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 6.4 m-85 -36.47 -38.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.63 -44.25 64.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -68.2 -45.12 72.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.461 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 54.1 m-85 -72.36 -44.76 62.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 73' ' ' TYR . . . -71.17 -10.88 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.5 t -72.66 -31.43 65.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.2 pt -89.82 -38.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.19 -18.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.1 91.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.2 p -52.45 124.34 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.476 ' HA ' ' CE1' ' A' ' 104' ' ' TYR . 1.5 ppt_? -74.02 137.62 43.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mp -113.2 -52.78 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -77.53 147.46 35.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.86 142.89 25.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.3 6.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.7 t -69.87 -56.6 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.429 ' OD1' ' C ' ' A' ' 89' ' ' ASP . 0.2 OUTLIER -38.45 -43.02 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.42 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 9.2 mmm -53.98 -44.8 71.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' SER . 60.5 t -67.27 -48.48 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 37.4 mt -49.82 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.423 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.5 pp -77.86 165.07 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.57 -55.66 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' C ' HD13 ' A' ' 93' ' ' LEU . 34.3 mm -118.43 123.74 29.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.729 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.9 Cg_endo -69.72 179.99 3.29 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.48 111.45 23.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -46.36 -50.62 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.96 -45.52 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.3 m -63.39 -65.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.9 t -42.98 -60.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.8 mtp -45.01 -46.02 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.3 m -50.66 -59.59 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.476 ' CE1' ' HA ' ' A' ' 83' ' ' ARG . 17.7 t80 -51.83 -48.48 63.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD22 ' CH2' ' A' ' 37' ' ' TRP . 15.3 mt -56.47 -51.57 67.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -44.66 -33.01 1.67 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -67.32 -46.11 74.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.465 HG23 ' CH2' ' A' ' 17' ' ' TRP . 3.7 mp -65.41 -60.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.515 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 27.2 ttt180 -48.14 -39.39 20.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.55 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -51.1 -57.19 9.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.7 m -38.49 -64.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 tp -48.13 -57.82 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 3.0 tp -48.08 -30.73 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.0 t -83.86 -38.49 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.477 ' CG ' ' HG3' ' A' ' 109' ' ' ARG . 84.4 t90 -62.33 -44.86 95.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.15 -42.75 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 23.8 mtpt -68.6 -37.13 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.01 -57.07 14.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 HG21 ' N ' ' A' ' 22' ' ' THR . 13.8 m -59.74 -26.02 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.468 ' HB ' ' CG1' ' A' ' 28' ' ' VAL . 77.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.468 ' CG1' ' HB ' ' A' ' 22' ' ' THR . 92.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' THR . 19.0 ttmt -120.69 84.4 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mp -61.27 77.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' LYS . 19.4 p -79.03 -35.32 42.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -139.51 -179.19 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.502 ' CE2' ' HE1' ' A' ' 102' ' ' MET . 42.0 m-85 -117.03 30.23 7.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.0 p -128.31 -62.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' TRP . 68.7 p -87.05 -48.08 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -40.08 -28.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.574 ' CH2' HD22 ' A' ' 105' ' ' LEU . 30.5 m95 -106.96 -26.34 11.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' TRP . 18.9 ttp85 -34.2 -48.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -65.89 -54.27 28.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.29 -9.18 8.36 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.81 -59.52 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 14.2 m -52.86 -34.21 53.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 6.8 m-85 -65.66 -53.94 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 87.3 m -66.75 -56.41 10.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' CYS . . . -35.01 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' CYS . 70.1 mt -70.07 -57.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.76 -22.18 61.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 22.0 t-80 -78.02 -32.48 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.401 ' CD2' ' HA ' ' A' ' 21' ' ' VAL . 14.8 t60 -51.76 -56.73 12.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -69.52 -46.65 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 4.9 tpt180 -134.85 99.62 12.49 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.7 3.36 2.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.85 -41.71 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.16 -34.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.41 -177.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -116.69 31.69 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -54.96 -25.55 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -61.76 -18.11 58.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.0 t -135.03 26.84 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -93.26 -177.96 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -170.36 160.91 6.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 7.63 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.317 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.459 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 2.1 pp0? -84.97 -21.02 29.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.459 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 19.3 m-20 -103.03 114.67 29.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.36 -49.94 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -71.52 -51.54 23.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' ASN . 22.5 tt0 -56.44 -63.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 39.8 m-20 -36.4 -58.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.65 -53.28 59.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -48.75 -43.82 38.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -52.56 -51.12 61.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -56.65 -70.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.543 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 17.7 m-85 -34.6 -47.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.62 -46.18 77.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.99 -55.44 4.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 20.5 m-85 -49.09 -50.67 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.9 -24.12 65.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 t -54.4 -43.37 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.555 HD13 ' CE1' ' A' ' 111' ' ' HIS . 14.2 pt -76.04 -33.95 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.07 31.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.0 mt -101.43 103.11 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -51.92 121.01 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -78.24 116.16 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mp -95.66 -50.04 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.1 tp -90.9 147.5 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -106.54 151.33 40.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.729 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.543 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 54.1 Cg_endo -69.71 -47.71 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 t -56.81 -53.32 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -39.0 -50.29 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mmt -47.84 -40.95 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.2 t -75.48 -48.23 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.0 mt -44.26 -67.04 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 pp -86.07 166.97 15.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.49 -72.73 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.8 mm -109.86 129.1 24.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 179.93 3.33 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.71 105.17 17.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -41.59 -41.08 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.22 -45.39 93.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.7 m -65.56 -55.64 16.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.2 t -52.7 -64.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.502 ' HE1' ' CE2' ' A' ' 33' ' ' PHE . 1.7 mtp -38.31 -51.04 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -46.32 -58.31 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -52.68 -53.81 42.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.574 HD22 ' CH2' ' A' ' 37' ' ' TRP . 17.5 mt -47.21 -56.18 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -40.66 -35.23 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -64.88 -57.01 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.406 HG21 ' CH2' ' A' ' 17' ' ' TRP . 4.2 mp -51.76 -58.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.477 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 7.0 ttt85 -48.44 -41.81 30.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.93 -45.16 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.555 ' CE1' HD13 ' A' ' 79' ' ' ILE . 6.9 t60 -50.44 -59.6 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.794 0.331 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -49.36 -44.45 44.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 17' ' ' TRP . 28.3 tp -57.63 -69.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 tp -39.78 -26.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' LEU . 22.6 t -88.79 -38.37 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.553 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 74.1 t90 -56.58 -40.12 74.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -76.81 -54.52 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -57.55 -22.72 46.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.06 -56.72 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.565 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.3 m -61.81 -23.12 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.3 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.913 0.387 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -122.32 101.26 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mp -87.56 68.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.7 m -79.93 -14.39 58.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -151.59 177.02 10.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.483 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 19.8 m-85 -116.64 34.4 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.5 p -131.64 -72.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' TRP . 70.4 p -74.96 -53.39 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -39.73 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.561 ' CH2' HD22 ' A' ' 105' ' ' LEU . 43.5 m95 -107.36 -26.32 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' THR . 11.9 ttp85 -37.03 -55.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.495 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 4.1 p-10 -56.64 -58.56 7.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.52 1.03 7.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD23 ' ND2' ' A' ' 68' ' ' ASN . 55.2 mt -54.94 -66.69 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.497 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 4.9 m -45.33 -51.75 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -46.23 -47.91 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.32 -58.33 3.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB1' ' CZ ' ' A' ' 57' ' ' TYR . . . -40.54 -46.69 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -56.06 -54.3 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.493 HD11 ' CE1' ' A' ' 76' ' ' PHE . 30.6 tp -65.36 -23.83 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.2 t-80 -80.29 -20.57 44.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.565 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 46.1 t60 -64.06 -46.88 82.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -82.99 -43.5 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -132.43 92.93 26.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.78 -6.99 19.94 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -96.8 -16.77 20.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.2 mt -68.28 -38.21 81.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.64 -177.31 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -114.57 27.36 9.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 22.7 t80 -53.73 -18.72 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -63.51 -25.03 68.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -134.31 31.3 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.6 mt -91.89 -174.77 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.4 m120 -172.07 159.8 4.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 3.4 2.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -80.01 -13.85 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -109.39 114.44 28.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 mt -97.2 -47.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -79.05 -48.62 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.24 -58.47 8.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.432 ' ND2' HD23 ' A' ' 41' ' ' LEU . 8.9 m-20 -42.86 -48.53 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 4.2 m-80 -65.11 -58.2 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -44.89 -45.33 10.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -49.38 -56.47 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.33 -63.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.508 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 22.8 m-85 -38.13 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ALA . 26.5 t0 -78.78 -44.36 23.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -73.75 -43.59 34.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CE1' HD11 ' A' ' 47' ' ' LEU . 21.4 m-85 -65.72 -48.37 72.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.04 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 m -58.07 -45.95 86.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.451 ' CG1' ' O ' ' A' ' 76' ' ' PHE . 16.0 pt -72.33 -35.0 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.68 34.62 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.545 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.0 mt -105.2 102.02 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -54.96 126.79 25.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 11.0 mtm105 -78.29 126.81 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 36.4 mt -108.52 -35.53 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -103.91 154.95 19.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -110.33 148.52 38.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.508 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.78 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.262 . . . . 0.0 112.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.5 t -57.95 -54.64 44.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' SER . 10.2 t0 -35.38 -43.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -54.76 -45.63 74.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 88' ' ' SER . 23.6 t -69.91 -47.41 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.7 mt -46.47 -55.87 6.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.3 pp -90.98 176.78 6.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.64 -66.45 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.463 ' CD1' ' CG2' ' A' ' 35' ' ' THR . 33.2 mm -117.61 132.25 23.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 178.07 4.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.622 2.214 . . . . 0.0 112.332 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.1 m-20 -93.51 101.53 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 97' ' ' ASP . 31.7 tttt -34.3 -51.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.49 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 103' ' ' THR . 21.7 m -41.42 -66.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' THR . 89.2 t -35.63 -55.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.4 mtp -60.22 -37.15 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 100' ' ' THR . 33.3 m -58.62 -47.03 85.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.404 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 26.0 t80 -65.87 -42.26 90.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.561 HD22 ' CH2' ' A' ' 37' ' ' TRP . 11.3 mt -57.01 -54.31 48.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -44.03 -38.38 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -60.1 -51.13 70.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 104' ' ' TYR . 5.0 mp -59.31 -56.69 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.553 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 25.7 ttt-85 -50.07 -39.15 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.59 -41.7 75.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -52.99 -50.84 63.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.839 0.352 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.6 p -40.12 -48.59 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.42 -63.49 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 33' ' ' PHE . 5.4 tp -37.21 -35.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' TRP . 70.7 t -73.08 -54.45 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.459 ' CG ' ' HG3' ' A' ' 109' ' ' ARG . 23.4 t90 -35.17 -52.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 t -64.82 -63.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -48.95 -21.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.82 -62.37 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.558 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.1 m -64.42 -19.99 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.402 ' CG1' HD13 ' A' ' 30' ' ' ILE . 8.2 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.914 0.387 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -132.67 -34.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 30' ' ' ILE . 5.3 mp 60.64 50.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -69.67 -26.25 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -143.07 167.35 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.482 ' CE2' HD12 ' A' ' 15' ' ' LEU . 40.5 m-85 -112.11 36.02 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.9 p -130.66 -70.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.41 HG22 ' CD1' ' A' ' 95' ' ' ILE . 67.8 p -82.68 -43.43 16.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.204 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 t -45.24 -28.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 43.1 m95 -104.72 -27.05 12.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' TRP . 19.3 ttp85 -34.95 -50.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.465 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -63.5 -53.41 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.18 41.52 1.06 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -96.5 -52.08 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.36 . . . . 0.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.523 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 29.6 m -59.74 -33.08 71.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.546 ' CE1' HD22 ' A' ' 105' ' ' LEU . 12.9 m-85 -64.43 -44.5 90.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.21 -34.83 49.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.15 76.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.1 mt -62.42 -66.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 tp -47.31 -31.73 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 56.9 t-80 -69.65 -41.09 76.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 17.1 t60 -47.59 -51.35 21.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -75.8 -46.81 28.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -140.33 105.0 6.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -44.13 2.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.3 -38.72 63.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 mt -48.67 -37.64 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -123.69 178.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.68 25.1 11.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.435 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 9.0 t80 -48.02 -26.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -35.05 70.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.2 p -123.21 33.05 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.0 mt -93.96 -175.08 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.2 m120 -173.87 160.07 3.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.483 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.46 -21.04 45.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.483 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 17.6 m-20 -102.0 114.98 29.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.454 ' CG2' HG21 ' A' ' 91' ' ' VAL . 88.1 mt -101.95 -44.03 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HD2' ' CB ' ' A' ' 88' ' ' SER . 20.4 ttpt -79.66 -44.57 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 68' ' ' ASN . 26.0 tt0 -64.52 -65.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLU . 15.9 m-20 -34.2 -58.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 4.1 m-80 -56.12 -49.09 74.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -54.22 -49.19 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -44.06 -47.3 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -61.47 -71.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.547 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 15.3 m-85 -32.73 -53.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -49.09 -46.21 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -78.56 -53.52 4.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.414 ' CD2' ' HB3' ' A' ' 72' ' ' ALA . 15.5 m-85 -49.12 -51.47 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.838 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.45 71.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t -44.7 -48.14 10.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.428 ' CD1' HD13 ' A' ' 81' ' ' ILE . 17.8 pt -73.06 -38.57 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.3 32.71 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.432 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.562 HG12 ' CD2' ' A' ' 111' ' ' HIS . 68.5 mt -102.03 101.65 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.7 m -51.28 125.18 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -84.36 114.78 22.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.6 mt -91.97 -46.92 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.4 tp -88.31 149.09 23.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -108.03 147.64 35.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.727 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.6 Cg_endo -69.79 -50.76 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.453 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . 90.8 p -59.37 -50.28 74.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -42.62 -47.17 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -49.26 -48.75 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 65' ' ' ILE . 48.4 t -66.8 -47.44 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.9 mt -49.4 -60.16 3.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 95' ' ' ILE . 4.4 pp -84.54 159.43 20.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.63 -59.84 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.41 ' CD1' HG22 ' A' ' 35' ' ' THR . 39.9 mm -119.48 123.93 28.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 176.92 6.14 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.2 m-20 -91.38 101.08 13.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' ASP . 4.4 ttpm? -36.72 -48.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.9 mt -54.58 -56.07 22.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.5 m -51.7 -60.9 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.8 t -49.83 -59.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.9 mtp -47.23 -45.16 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.1 m -55.44 -57.44 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -51.64 -59.05 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' A' ' 43' ' ' PHE . 13.0 mt -39.86 -58.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 105' ' ' LEU . 16.4 m-85 -37.07 -43.52 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.504 ' O ' ' CD2' ' A' ' 111' ' ' HIS . 18.4 mm100 -52.05 -58.67 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.8 mp -52.63 -55.03 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 5.6 ttt-85 -54.86 -33.67 62.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.04 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.562 ' CD2' HG12 ' A' ' 81' ' ' ILE . 44.4 m-70 -62.25 -51.26 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -47.02 -56.06 7.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.5 -62.04 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD12 ' CE2' ' A' ' 33' ' ' PHE . 5.6 tp -39.49 -41.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' TRP . 59.8 t -67.11 -53.38 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.569 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 47.4 t90 -34.65 -52.85 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t -65.15 -63.89 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -43.28 -25.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -73.13 -61.1 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.564 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.8 m -66.48 -18.99 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.42 ' CB ' HG12 ' A' ' 28' ' ' VAL . 72.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 HG12 ' CB ' ' A' ' 22' ' ' THR . 10.1 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.957 0.408 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -117.7 -20.66 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.0 mp 50.31 53.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.432 HG21 ' ND2' ' A' ' 32' ' ' ASN . 5.2 t -63.5 -26.84 68.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' ND2' HG21 ' A' ' 31' ' ' THR . 10.9 m-80 -148.71 177.52 9.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.544 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 55.5 m-85 -114.99 34.52 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 p -127.84 -72.08 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' ARG . 76.3 p -78.83 -53.32 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' THR . 13.6 t -36.42 -34.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.558 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 40.1 m95 -99.01 -29.28 12.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 94' ' ' ALA . 23.4 ttt-85 -35.52 -44.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 p30 -70.42 -47.24 61.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 106.97 42.99 1.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.9 mt -96.87 -56.95 2.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.558 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 20.4 m -59.62 -32.54 70.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.3 -44.75 86.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.4 m -77.81 -34.1 52.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.47 -53.25 60.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.473 HG23 ' CH2' ' A' ' 17' ' ' TRP . 50.4 mt -49.59 -61.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.406 HD22 ' CG1' ' A' ' 55' ' ' ILE . 31.3 tp -53.02 -32.38 46.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 60.1 t-80 -69.66 -39.0 77.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.564 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 32.0 t60 -47.08 -41.31 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -82.37 -43.88 16.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' CB ' HD12 ' A' ' 54' ' ' LEU . 10.1 tpt180 -136.19 104.85 9.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.692 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.543 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.8 -3.28 11.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -101.16 -39.72 7.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 51' ' ' ARG . 11.6 mt -41.86 -40.79 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.425 HD12 ' N ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -122.51 171.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -104.29 23.68 12.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.432 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 11.3 t80 -49.58 -22.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -58.32 -32.53 68.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -129.27 35.41 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 10.5 mt -93.97 -176.43 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -171.29 160.02 5.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 3.93 2.47 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.59 -19.16 50.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 20.9 m-20 -104.59 114.7 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.4 mt -98.99 -39.81 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -85.22 -50.45 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' HG2' ' CE ' ' A' ' 71' ' ' LYS . 15.3 tt0 -57.61 -57.87 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -45.84 -54.61 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.4 m-80 -59.02 -47.91 83.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' N ' ' HB3' ' A' ' 87' ' ' PRO . 35.0 tttm -48.92 -46.09 42.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.46 ' CE ' ' HG2' ' A' ' 67' ' ' GLU . 11.2 mttm -49.76 -62.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -44.47 -73.21 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' ALA . 17.1 m-85 -35.6 -44.56 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -62.86 -44.68 95.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.05 -57.07 4.97 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.404 ' CE1' HG22 ' A' ' 108' ' ' ILE . 38.7 m-85 -52.55 -42.97 64.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.28 69.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -45.74 -49.25 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.2 pt -70.03 -38.56 75.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.29 33.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 74.0 mt -103.27 99.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -47.89 132.96 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -84.56 110.08 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.88 -44.24 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.4 tp -96.81 154.35 17.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -112.02 150.9 43.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.418 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.73 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.3 p -64.35 -33.74 76.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -38.67 63.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.53 -36.98 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.0 t -72.22 -51.22 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.4 mt -41.83 -55.51 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 95' ' ' ILE . 4.3 pp -95.72 173.8 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.472 ' O ' ' CD ' ' A' ' 38' ' ' ARG . . . -90.75 -53.02 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' C ' HD12 ' A' ' 93' ' ' LEU . 15.9 mm -120.54 124.45 27.62 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.24 2.76 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -97.86 96.78 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' ASP . 5.1 ttpm? -34.38 -56.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.26 -60.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.9 m -56.94 -60.79 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.6 t -42.61 -61.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.8 mtp -50.78 -43.4 58.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 61.7 m -55.06 -47.02 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -60.65 -51.88 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.534 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 9.1 mt -45.23 -60.51 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.419 ' O ' ' CB ' ' A' ' 110' ' ' ALA . 24.8 m-85 -37.05 -41.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -55.98 -53.51 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.404 HG22 ' CE1' ' A' ' 76' ' ' PHE . 5.2 mp -63.15 -58.04 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -55.23 -33.6 63.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 106' ' ' TYR . . . -72.76 -41.1 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -57.26 -53.17 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.4 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 16.3 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.789 0.328 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 t -47.27 -50.17 22.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.52 -59.32 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -50.93 -27.31 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 12' ' ' GLN . 90.4 t -87.02 -38.43 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.549 ' CZ3' HG21 ' A' ' 46' ' ' ILE . 90.0 t90 -60.27 -45.44 93.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 p -69.48 -42.96 74.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -67.99 -21.24 65.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -73.04 -55.65 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.559 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 m -67.78 -24.02 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.463 ' HB ' ' CG1' ' A' ' 28' ' ' VAL . 80.9 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG1' ' HB ' ' A' ' 22' ' ' THR . 58.7 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.889 0.376 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -120.75 87.53 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.458 HD11 ' CG1' ' A' ' 28' ' ' VAL . 5.3 mp -71.84 82.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.402 HG22 ' ND2' ' A' ' 32' ' ' ASN . 11.3 t -90.74 -27.45 18.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.402 ' ND2' HG22 ' A' ' 31' ' ' THR . 12.2 m-20 -141.11 177.81 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 32.4 m-85 -117.97 32.55 6.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.7 -72.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' ARG . 73.9 p -77.53 -50.21 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 m -38.23 -34.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.551 ' CZ2' HD11 ' A' ' 105' ' ' LEU . 25.4 m95 -100.96 -26.61 13.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' TRP . 32.5 ttt-85 -35.63 -48.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.479 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 p30 -65.95 -53.78 34.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.49 36.8 1.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 mt -87.7 -60.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.46 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 67.7 m -52.81 -37.89 60.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -57.75 -45.38 85.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.7 m -75.96 -41.88 50.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.19 -59.62 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.549 HG21 ' CZ3' ' A' ' 17' ' ' TRP . 86.2 mt -42.49 -54.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.427 HD22 ' CG1' ' A' ' 55' ' ' ILE . 32.9 tp -59.01 -37.11 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 23.5 t-80 -66.34 -30.84 71.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.559 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 61.9 t60 -56.02 -45.38 79.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -72.97 -51.2 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 2.3 mmp_? -139.0 105.1 7.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.512 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 1.93 4.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -107.99 36.74 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.9 mt -126.92 -41.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.427 ' CG1' HD22 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -117.95 171.05 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -106.61 25.33 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 10.7 t80 -50.61 -23.92 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -57.23 -28.8 63.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -131.25 35.79 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 12.1 mt -98.19 -178.33 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.402 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 4.8 m120 -167.72 160.27 9.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 4.19 2.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.55 -20.47 46.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.476 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 20.6 m-20 -102.27 115.04 29.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -101.0 -46.85 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -75.39 -45.08 41.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 68' ' ' ASN . 21.7 tt0 -64.87 -65.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' GLU . 31.1 m-20 -35.46 -58.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 5.1 m-80 -57.1 -51.59 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -49.77 -45.6 49.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -48.44 -60.96 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -48.64 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.463 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 16.7 m-85 -34.29 -46.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -57.73 -46.41 84.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.0 -56.35 4.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 17.9 m-85 -48.98 -43.58 40.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' CB ' ' HD2' ' A' ' 83' ' ' ARG . . . -70.35 -30.66 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -45.48 -49.09 13.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 80' ' ' GLY . 24.3 pt -71.23 -41.04 74.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.424 ' N ' HG13 ' A' ' 79' ' ' ILE . . . 144.8 35.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 30.2 mt -103.55 100.63 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.0 p -46.53 151.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 83' ' ' ARG . 2.5 mpp_? -97.21 103.17 15.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.32 -44.89 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 tp -102.1 151.2 22.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -109.28 150.43 41.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.673 0.749 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.463 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.76 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.0 p -56.11 -47.44 78.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -42.33 -53.22 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.6 mmt -48.89 -41.67 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -70.68 -47.55 63.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 56.8 mt -49.56 -59.34 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.41 HD11 ' C ' ' A' ' 93' ' ' LEU . 4.3 pp -88.69 168.16 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.28 -62.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.1 mm -116.34 127.71 26.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 176.7 6.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 98' ' ' LYS . 8.8 m-20 -89.68 101.59 14.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASP . 37.8 tttt -38.16 -53.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.0 -45.73 68.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.7 m -59.07 -59.87 4.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.7 t -50.07 -63.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.3 mtp -41.12 -47.33 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 96.5 m -54.96 -47.62 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -63.24 -49.48 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.551 HD11 ' CZ2' ' A' ' 37' ' ' TRP . 10.2 mt -52.11 -60.66 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 105' ' ' LEU . 10.7 m-85 -34.73 -45.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -52.35 -55.33 22.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.8 mp -59.49 -56.46 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.513 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -54.19 -34.36 60.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.91 -40.69 53.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -58.8 -55.12 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.438 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 9.3 tm0? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.86 0.362 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -53.18 -48.49 68.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.6 tp -62.18 -59.47 5.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 HD12 ' CZ ' ' A' ' 33' ' ' PHE . 8.0 tp -49.41 -41.12 38.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 12' ' ' GLN . 48.0 t -70.32 -46.85 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 53.9 t90 -40.01 -52.07 2.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 20' ' ' GLU . 41.8 t -64.25 -64.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -43.11 -24.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 18' ' ' CYS . 3.5 tt0 -73.14 -50.31 23.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.521 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.6 m -79.46 -12.25 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.466 ' HB ' ' CG1' ' A' ' 28' ' ' VAL . 68.9 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 22' ' ' THR . 95.6 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.909 0.385 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -109.35 101.53 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.457 HD13 ' CG1' ' A' ' 28' ' ' VAL . 5.2 mp -85.21 69.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.5 t -78.73 -26.0 44.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -144.28 -179.37 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 34.7 m-85 -114.36 29.69 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 p -131.71 -72.1 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.7 p -71.54 -41.61 68.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.37 -24.44 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CZ3' HD23 ' A' ' 105' ' ' LEU . 25.2 m95 -111.97 -23.62 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' TRP . 13.6 ttm180 -35.74 -47.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.489 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -68.09 -56.97 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.25 32.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.67 -67.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 46.1 m -47.89 -39.91 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CE1' ' CE2' ' A' ' 104' ' ' TYR . 10.7 m-85 -55.35 -44.9 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 m -76.99 -47.14 21.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.77 -55.41 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.3 mt -44.87 -56.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.5 tp -56.59 -31.67 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.548 ' CE1' ' HA ' ' A' ' 52' ' ' PRO . 15.5 t-80 -69.36 -41.02 77.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.521 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 25.5 t60 -47.77 -41.36 23.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 34.4 m-85 -76.49 -51.84 10.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 4.3 mmt180 -133.14 103.35 12.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.548 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.76 3.07 2.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.82 32.44 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 51' ' ' ARG . 15.6 mt -116.37 -39.7 3.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.32 175.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -107.55 23.78 13.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.443 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 13.0 t80 -49.55 -28.31 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -54.08 -29.64 45.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.4 t -128.92 36.33 4.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 12.8 mt -100.48 177.17 5.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.402 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 4.2 m120 -161.93 160.69 22.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 4.9 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.48 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.7 pp0? -80.38 -20.3 44.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.48 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 17.3 m-20 -100.57 115.36 29.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.422 ' CG2' HG23 ' A' ' 91' ' ' VAL . 32.7 mt -98.74 -52.55 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -74.21 -46.49 41.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.61 -65.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -39.22 -45.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.0 m-80 -66.02 -51.21 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -50.91 -52.89 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -41.96 -58.67 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -50.31 -68.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.473 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 17.9 m-85 -33.39 -54.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -48.53 -44.33 36.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.11 -53.17 4.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 22.3 m-85 -49.82 -51.49 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' CB ' ' HD2' ' A' ' 83' ' ' ARG . . . -65.99 -35.13 79.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -44.67 -50.62 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.429 ' CG1' ' O ' ' A' ' 76' ' ' PHE . 16.0 pt -68.95 -39.8 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.01 32.96 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.6 mt -106.84 98.0 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 111.117 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.3 m -42.58 157.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HD2' ' CB ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -96.9 92.3 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 mp -80.27 -43.97 20.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.3 tp -98.38 152.48 19.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.414 ' HB2' ' CG ' ' A' ' 89' ' ' ASP . 60.2 mm-40 -110.89 146.18 33.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.6 Cg_endo -69.79 -50.51 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 91' ' ' VAL . 85.2 p -58.01 -52.21 66.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.414 ' CG ' ' HB2' ' A' ' 86' ' ' GLU . 2.2 m-20 -37.03 -45.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -56.81 -42.24 79.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' SER . 64.3 t -74.37 -51.74 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 52.3 mt -40.11 -64.83 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 93' ' ' LEU . 1.8 pp -93.31 176.8 6.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.33 -61.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.5 mm -99.44 126.35 37.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.733 . . . . 0.0 111.179 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -176.44 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.31 94.76 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -42.09 -59.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.6 mt -47.2 -51.48 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.9 m -58.92 -55.74 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.0 t -49.68 -61.15 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.3 mtp -45.08 -48.07 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.2 m -59.05 -40.3 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.473 ' CE2' ' CE1' ' A' ' 43' ' ' PHE . 24.0 t80 -65.93 -49.88 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.569 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 22.4 mt -50.04 -58.67 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -38.04 -42.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -57.4 -52.52 65.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.405 HG21 ' CE1' ' A' ' 76' ' ' PHE . 5.2 mp -61.77 -57.67 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.03 -40.27 63.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.84 79.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -52.0 -55.51 20.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.626 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 81.4 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.764 0.316 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -46.34 -58.63 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.5 tp -54.57 -57.33 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 tp -45.98 -35.37 4.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' TRP . 55.5 t -77.78 -45.91 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.569 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 81.3 t90 -37.72 -51.52 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 t -67.89 -45.24 75.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.61 -21.17 37.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -83.12 -63.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.506 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 3.1 m -54.6 -29.61 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.0 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -134.82 94.52 3.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.8 75.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -83.35 -22.03 32.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -148.99 -179.96 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.516 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 49.1 m-85 -121.1 31.17 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -127.35 -68.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.441 ' CG2' ' CD1' ' A' ' 95' ' ' ILE . 69.8 p -87.07 -30.65 20.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -55.16 -31.48 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CZ3' HD23 ' A' ' 105' ' ' LEU . 16.3 m95 -105.13 -17.08 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -41.93 -51.56 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 1.3 p30 -62.4 -56.16 20.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.75 29.38 2.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.25 -63.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.4 m -48.09 -41.75 27.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 22.4 m-85 -54.9 -46.79 74.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.2 m -75.08 -35.98 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.71 76.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.532 HG21 ' CH2' ' A' ' 17' ' ' TRP . 35.9 mt -55.24 -61.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.6 tp -51.45 -39.95 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.477 ' CE1' ' CB ' ' A' ' 52' ' ' PRO . 29.9 t-80 -62.94 -34.13 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.506 ' CD2' ' HA ' ' A' ' 21' ' ' VAL . 25.3 t60 -54.04 -52.8 59.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -64.58 -46.7 81.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.3 tpp180 -143.66 105.0 4.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.477 ' CB ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.73 -0.19 6.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -108.3 28.77 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.0 mt -114.89 -38.66 3.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.434 HD12 ' N ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -120.37 175.42 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -107.34 24.15 13.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.43 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 11.2 t80 -50.15 -23.14 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -57.67 -31.25 66.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -129.29 34.39 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 11.3 mt -94.74 176.08 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -161.46 161.36 22.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.721 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 3.95 2.49 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.522 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.64 -22.83 43.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.522 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 16.3 m-20 -99.22 115.45 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.4 mt -103.02 -49.49 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -72.35 -42.44 65.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.3 tp10 -66.3 -64.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' GLU . 17.0 m-20 -34.55 -44.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 4.7 m-80 -70.76 -44.26 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' GLU . 17.1 tptm -53.62 -54.95 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HZ3' ' CG ' ' A' ' 67' ' ' GLU . 13.0 mtmm -44.96 -59.56 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -46.24 -72.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 72' ' ' ALA . 16.0 m-85 -34.02 -52.97 0.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.56 -44.56 46.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.78 -53.95 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.424 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 19.1 m-85 -49.64 -52.0 33.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.98 -22.31 65.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -53.96 -44.48 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 pt -76.06 -37.95 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 144.85 33.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.7 mt -105.51 97.57 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 111.119 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t -44.84 145.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -95.16 105.35 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.9 mt -86.01 -52.7 5.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.1 tp -87.32 154.72 20.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -110.23 148.26 37.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.668 0.747 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.422 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.8 -46.46 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 p -63.01 -45.83 90.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -43.08 -51.28 5.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.7 mmt -50.07 -32.93 16.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.4 t -85.25 -40.73 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.9 mt -52.52 -49.77 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.51 179.99 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.72 -61.53 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.441 ' CD1' ' CG2' ' A' ' 35' ' ' THR . 25.2 mm -115.94 128.06 26.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -178.62 2.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.4 m-20 -99.81 100.02 10.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' ASP . 14.6 ttmt -33.99 -57.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.6 mt -50.11 -45.08 52.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' ASP . 86.9 m -61.67 -51.61 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.2 -63.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 55.6 mtp -39.87 -49.62 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.8 m -52.77 -49.64 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -57.7 -46.07 84.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.556 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 11.5 mt -53.41 -59.8 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' LEU . 21.0 m-85 -36.18 -39.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -60.22 -44.69 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 105' ' ' LEU . 4.1 mp -72.4 -56.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 tmt_? -54.8 -32.8 60.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.54 -43.74 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -51.94 -56.63 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -48.91 -49.35 40.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.97 -59.92 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -47.16 -47.08 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.47 -44.08 98.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 88.8 t90 -52.81 -46.14 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 m -64.78 -52.81 54.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -59.33 -32.5 70.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -62.97 -69.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.511 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.5 m -51.08 -23.98 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.411 ' HB ' ' CG1' ' A' ' 28' ' ' VAL . 57.9 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' A' ' 30' ' ' ILE . 89.4 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.853 0.359 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -114.05 88.3 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.424 HD11 ' CG1' ' A' ' 28' ' ' VAL . 5.2 mp -69.6 79.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.8 p -82.65 -33.12 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -135.16 -175.85 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.48 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 57.0 m-85 -122.99 26.93 7.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.469 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 0.8 OUTLIER -126.9 -56.14 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 38' ' ' ARG . 63.4 p -90.46 -53.09 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' THR . 2.2 m -37.42 -32.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 20.1 m95 -102.52 -25.93 13.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 35' ' ' THR . 15.3 ttp85 -34.18 -49.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 10.2 p-10 -67.21 -54.27 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.5 35.14 1.33 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' HG ' ' ND2' ' A' ' 39' ' ' ASN . 35.7 mt -85.56 -57.07 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.551 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 70.5 m -57.06 -41.05 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.19 -47.46 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.8 m -74.33 -39.21 62.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.05 -53.28 60.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.0 mt -50.59 -61.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 30.7 tp -52.54 -33.2 44.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.467 ' N ' HD11 ' A' ' 55' ' ' ILE . 18.3 t-80 -73.95 -35.88 64.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.511 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 28.6 t60 -51.6 -54.3 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 66.3 m-85 -66.1 -45.12 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -142.1 105.05 5.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.644 0.735 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -6.26 18.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.301 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -101.85 33.39 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.0 mt -120.45 -37.16 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.467 HD11 ' N ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -124.94 170.1 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.81 27.45 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.422 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 12.1 t80 -51.58 -27.51 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -56.63 -25.05 52.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -132.74 34.09 3.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 11.9 mt -97.81 179.54 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.403 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 4.5 m120 -164.98 160.5 14.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 4.51 2.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.502 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -80.05 -22.1 42.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.502 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 21.7 m-20 -100.55 115.13 29.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.0 mt -99.64 -46.85 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 24.0 ttpp -75.91 -46.91 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 68' ' ' ASN . 44.2 tt0 -62.1 -66.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 67' ' ' GLU . 24.8 m-20 -33.93 -59.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 15.3 m-80 -58.7 -56.57 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -43.57 -47.99 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -52.82 29.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.03 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 16.2 m-85 -34.95 -39.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -67.18 -47.04 72.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -69.76 -59.58 5.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 31.8 m-85 -50.06 -46.55 53.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.04 -24.97 64.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -55.15 -47.85 74.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.8 pt -70.0 -36.89 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.13 32.73 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.0 mt -100.89 95.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.9 m -44.45 109.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HA ' ' CE1' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -70.63 140.07 51.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.5 mt -122.46 -52.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -79.12 145.04 33.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -109.37 150.62 41.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.478 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 87.2 p -55.75 -60.8 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -37.4 -47.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.501 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 18.7 mmm -50.51 -43.21 55.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' SER . 90.5 t -72.08 -49.01 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.5 mt -44.26 -61.51 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.17 163.8 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.63 -56.64 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.8 mm -118.9 126.74 26.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.648 0.737 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.469 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.2 Cg_endo -69.71 -172.44 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' THR . 0.7 OUTLIER -100.27 100.15 10.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASP . 3.6 ttpm? -38.08 -48.6 1.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.13 -42.3 72.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 97' ' ' ASP . 13.5 m -64.58 -65.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.2 t -44.37 -60.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 20.4 mtp -43.84 -47.33 8.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.2 m -53.6 -54.17 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.428 ' CE1' ' HA ' ' A' ' 83' ' ' ARG . 13.4 t80 -53.5 -58.68 6.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.548 HD22 ' CH2' ' A' ' 37' ' ' TRP . 15.7 mt -38.5 -62.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 105' ' ' LEU . 20.6 m-85 -34.73 -39.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -60.42 -46.53 89.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 105' ' ' LEU . 5.1 mp -69.51 -58.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.49 -36.41 61.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 106' ' ' TYR . . . -68.78 -46.84 67.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -51.75 -60.96 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.417 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 63.3 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.79 0.328 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 m -43.0 -57.5 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 15' ' ' LEU . 12.8 tp -56.88 -64.05 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.0 tp -32.17 -65.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 19' ' ' LYS . 22.3 t -44.1 -59.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.524 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 92.2 t90 -32.24 -41.19 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.9 m -77.45 -47.81 18.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' VAL . 5.6 mtmp? -56.63 -42.06 78.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.97 -70.23 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.547 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.5 m -49.8 -25.47 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.42 ' HB ' ' CG1' ' A' ' 28' ' ' VAL . 75.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' CG1' ' HB ' ' A' ' 22' ' ' THR . 94.0 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.948 0.404 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -116.13 97.15 5.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' A' ' 15' ' ' LEU . 4.2 mp -74.81 81.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 m -94.2 -27.38 16.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -148.34 152.91 37.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.564 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 40.2 m-85 -92.1 13.56 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.7 p -111.45 -64.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 37' ' ' TRP . 59.3 p -80.85 -52.8 7.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 32' ' ' ASN . 1.2 t -38.33 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 16.6 m95 -111.22 -19.82 12.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' THR . 9.0 ttp85 -35.74 -49.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.465 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -74.3 -42.97 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.22 33.41 2.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 mt -83.42 -68.56 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.8 m -47.14 -21.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 5.4 m-85 -77.87 -41.32 37.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.52 -31.06 37.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . . . -66.35 -44.18 83.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.9 mt -58.96 -60.07 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 45.5 tp -56.01 -30.75 62.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.9 t-80 -69.71 -42.17 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.547 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 46.5 t60 -47.19 -38.99 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -83.05 -50.16 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.4 tpt180 -134.81 102.84 11.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.74 2.37 3.58 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -104.84 -34.63 8.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -49.42 -34.56 16.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.39 177.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -110.63 27.7 9.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.545 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 16.0 t80 -51.84 -22.84 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -61.23 -28.82 69.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.8 t -128.55 31.03 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.9 mt -92.45 -174.88 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.4 m120 -173.62 159.88 3.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 3.32 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.79 -13.15 59.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 15.5 m-20 -110.49 114.38 27.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -98.44 -47.14 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -74.4 -52.34 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 70' ' ' LYS . 4.2 tp10 -56.25 -67.4 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLU . 16.4 m-20 -34.1 -46.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.3 m-80 -68.02 -44.79 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' GLU . 22.4 ttpp -61.26 -35.65 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -58.86 -52.16 66.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.48 -74.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.059 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' ALA . 5.0 m-85 -34.43 -51.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -48.95 -46.41 43.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.51 -53.15 4.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 47' ' ' LEU . 20.9 m-85 -49.89 -56.84 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.52 -11.9 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 1.8 t -68.77 -38.06 79.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 pt -82.54 -23.96 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.82 30.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.7 mt -105.21 97.4 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -50.85 120.6 4.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.4 ptt85 -78.78 125.62 29.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -105.48 -54.0 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.7 tp -73.86 156.14 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -114.6 143.02 29.15 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.681 0.753 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -44.39 2.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.3 m -65.32 -42.13 93.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.76 -44.43 38.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -52.33 -41.72 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.8 -50.14 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.3 mt -42.37 -67.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 93' ' ' LEU . 2.7 pp -84.34 -175.96 6.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.84 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.7 mm -111.0 129.98 23.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 179.14 3.9 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.53 103.46 15.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -42.25 -44.92 3.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.5 mt -53.68 -52.94 58.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.3 m -58.69 -67.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.4 t -39.3 -61.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.9 mtp -45.34 -44.5 11.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.9 m -57.35 -42.66 82.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -68.18 -49.93 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 37' ' ' TRP . 8.3 mt -49.1 -55.94 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -40.63 -43.13 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -54.92 -56.76 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.7 mp -52.51 -57.91 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 9.5 ttt85 -49.92 -39.75 41.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.52 -45.18 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -47.12 -48.59 23.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.89 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.455 ' C ' ' OE1' ' A' ' 12' ' ' GLN . 1.2 tm0? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.838 0.352 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 p -49.7 -39.16 35.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.2 tp -76.62 -62.22 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 6.2 tp -43.37 -33.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -80.99 -44.71 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -42.0 -49.78 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.4 t -69.15 -55.97 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 6.3 mtpm? -50.83 -20.0 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -81.01 -55.87 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.564 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.7 m -68.97 -13.59 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.463 ' HB ' ' CG1' ' A' ' 28' ' ' VAL . 81.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG1' ' HB ' ' A' ' 22' ' ' THR . 98.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.858 0.361 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' THR . 69.8 tttt -118.5 83.82 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.405 HD12 ' CG1' ' A' ' 28' ' ' VAL . 5.3 mp -60.49 75.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -85.5 -26.78 26.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.43 177.1 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 14.0 m-85 -112.26 8.84 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 73.0 p -111.99 -61.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 38' ' ' ARG . 40.6 p -78.15 -56.7 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' THR . 13.8 t -37.96 -31.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' A' ' 33' ' ' PHE . 18.1 m95 -107.41 -19.61 13.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 35' ' ' THR . 9.2 ttp85 -39.58 -47.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -73.95 -54.46 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.75 24.57 2.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.6 mt -75.91 -64.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.483 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 49.2 m -49.37 -39.34 31.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 12.1 m-85 -58.42 -55.85 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -64.97 -35.87 82.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . . . -58.15 -46.87 84.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.71 -65.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 59.1 tp -50.91 -26.52 5.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.54 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 24.5 t-80 -79.79 -26.8 40.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.564 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 60.7 t60 -56.66 -42.9 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -86.49 -51.61 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.46 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -120.16 90.95 45.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.712 . . . . 0.0 110.833 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.54 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.76 4.07 2.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 33.9 t0 -110.17 -22.5 11.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 51' ' ' ARG . 7.5 mt -60.23 -42.89 96.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -116.43 -179.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -112.99 30.94 6.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 45' ' ' ALA . 21.3 t80 -55.69 -19.81 12.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -69.09 -21.6 64.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -131.5 21.6 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mt -83.57 -174.9 5.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -171.59 159.92 4.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.42 2.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.389 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.409 ' C ' ' CD ' ' A' ' 63' ' ' GLN . 1.7 pp0? -80.78 -9.27 59.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 11.9 m-20 -114.88 113.76 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.42 -42.68 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 91' ' ' VAL . 25.9 ttmt -81.02 -42.25 21.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 68' ' ' ASN . 13.1 tt0 -66.82 -64.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 67' ' ' GLU . 32.8 m-20 -35.13 -52.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 18.1 m-80 -63.17 -56.21 18.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -46.18 -42.75 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 70' ' ' LYS . 36.7 mttt -54.11 -42.7 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.87 -59.31 3.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.431 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 8.4 m-85 -46.55 -23.9 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.87 -39.45 51.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.33 -45.45 6.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CE1' HG22 ' A' ' 108' ' ' ILE . 37.9 m-85 -65.48 -44.47 87.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 73' ' ' TYR . . . -71.12 -17.59 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.2 t -68.37 -46.95 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.5 pt -68.95 -35.09 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.35 37.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 62.0 mt -106.73 93.5 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.2 m -38.81 139.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -85.12 126.11 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 44.9 mt -113.08 -51.32 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.1 tp -89.87 154.15 20.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -111.25 146.5 34.7 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.693 0.758 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.643 2.229 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 m -61.0 -45.9 92.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -43.0 -52.17 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.7 mmt -49.49 -39.1 32.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 66' ' ' LYS . 59.1 t -70.5 -46.89 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.6 mt -53.28 -58.3 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.1 pp -87.38 155.42 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.36 -69.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.8 mm -105.74 123.58 38.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.679 0.752 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.8 Cg_endo -69.74 156.4 63.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.88 108.59 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -45.44 -51.86 10.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.0 mt -47.41 -57.15 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.5 m -51.49 -71.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.5 t -38.03 -57.61 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.4 mtp -49.26 -43.57 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.2 m -57.56 -39.63 77.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.414 ' CE2' HD12 ' A' ' 108' ' ' ILE . 31.8 t80 -73.17 -43.68 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.402 HD23 ' CH2' ' A' ' 37' ' ' TRP . 15.2 mt -54.65 -51.13 66.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -47.31 -30.21 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -69.04 -59.37 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.451 HG22 ' CE1' ' A' ' 76' ' ' PHE . 4.7 mp -52.11 -47.1 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -62.63 -34.75 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.89 -51.5 25.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -46.09 -47.35 17.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -40.56 -60.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 14.0 tp -56.34 -47.87 77.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.7 tp -51.24 -38.66 53.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.2 t -75.28 -50.28 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.507 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 87.2 t90 -39.09 -47.46 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 m -64.72 -71.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -38.81 -31.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -64.94 -54.79 25.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.556 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.2 m -66.59 -22.67 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.472 ' CG1' HD13 ' A' ' 30' ' ' ILE . 15.9 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.893 0.377 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -135.01 72.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.472 HD13 ' CG1' ' A' ' 28' ' ' VAL . 4.8 mp -60.16 76.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' LYS . 7.0 t -87.44 -19.97 27.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -141.41 -177.94 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.429 ' CZ ' HD21 ' A' ' 14' ' ' LEU . 15.9 m-85 -125.4 19.86 8.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.4 -62.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.0 p -88.03 -12.97 42.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 t -74.21 -23.47 59.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CZ2' HD13 ' A' ' 105' ' ' LEU . 6.9 m95 -116.9 -8.47 11.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.402 ' CZ ' HD13 ' A' ' 65' ' ' ILE . 22.9 ttt-85 -44.23 -39.08 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -78.98 -45.92 19.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.76 24.24 5.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.81 -71.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.332 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.481 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.0 m -42.78 -46.36 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -52.49 -46.42 66.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.7 m -74.77 -29.78 61.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.37 -43.73 76.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mt -58.28 -56.47 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.98 -27.27 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -78.57 -18.14 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.556 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 76.0 t60 -68.76 -50.4 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.478 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 28.5 m-85 -69.17 -52.05 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -132.94 103.8 12.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 3.04 2.98 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -112.9 27.71 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 mt -110.84 -41.15 4.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.51 -177.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -115.49 26.56 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 22.9 t80 -50.34 -19.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -63.73 -33.71 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.8 p -121.98 28.25 7.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.4 mt -91.02 -174.72 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.1 m120 -173.5 159.99 3.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.744 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.48 2.74 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.225 . . . . 0.0 112.341 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.444 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.77 -14.28 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.444 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 16.4 m-20 -110.49 114.0 27.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.402 HD13 ' CZ ' ' A' ' 38' ' ' ARG . 82.3 mt -99.46 -39.51 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -78.86 -49.29 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 68' ' ' ASN . 10.0 tt0 -60.77 -69.54 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.478 ' C ' ' O ' ' A' ' 67' ' ' GLU . 20.9 m-20 -32.15 -54.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.9 m-80 -60.96 -51.82 67.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -51.25 -52.07 48.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -44.18 -51.56 8.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -57.04 -70.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 72' ' ' ALA . 11.2 m-85 -34.49 -40.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.34 -47.38 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -66.48 -55.05 19.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.486 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -56.78 -50.56 71.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.5 -5.63 8.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -73.45 -20.15 60.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 pt -105.8 -23.16 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.184 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.81 -5.8 2.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.2 mt -71.04 92.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.107 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.0 m -55.15 127.87 31.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -74.84 123.11 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 84' ' ' LEU . 7.8 mp -98.08 -47.94 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.465 HD22 ' CE ' ' A' ' 90' ' ' MET . 9.5 tp -85.57 160.34 19.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -113.85 147.78 38.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.15 0.97 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.5 p -65.32 -46.52 79.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.42 -48.85 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.465 ' CE ' HD22 ' A' ' 85' ' ' LEU . 3.1 mmt -55.75 -36.83 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.9 t -72.07 -41.46 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.91 -65.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.415 HD11 ' C ' ' A' ' 95' ' ' ILE . 4.4 pp -81.32 156.79 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.49 -57.84 3.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.415 ' C ' HD11 ' A' ' 93' ' ' LEU . 2.3 mm -115.75 124.07 30.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.63 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.8 m-20 -110.92 101.04 9.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' ASP . 12.5 ttpt -36.95 -52.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 mt -50.3 -50.28 51.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.3 m -57.73 -70.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.4 t -41.34 -60.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.1 mtp -42.68 -49.2 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -52.63 -56.47 15.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -50.48 -47.36 57.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.546 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 15.0 mt -53.36 -59.54 4.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 105' ' ' LEU . 11.7 m-85 -37.54 -32.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' LEU . 24.5 mm-40 -68.7 -44.15 74.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' A' ' 105' ' ' LEU . 3.8 mp -68.31 -54.25 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.507 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 8.8 ttt-85 -55.39 -40.76 71.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.57 80.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -51.04 -42.63 60.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.478 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 70.1 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.8 p -42.17 -57.3 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 45.3 tp -57.55 -63.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 tp -40.4 -31.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' TRP . 59.6 t -80.24 -50.67 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' VAL . 76.4 t90 -35.55 -50.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.22 -67.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.472 ' CG ' HD12 ' A' ' 30' ' ' ILE . 23.9 mtpp -42.0 -27.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.84 -56.38 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.422 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.9 m -67.04 -16.47 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.891 0.377 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.88 127.8 31.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.472 HD12 ' CG ' ' A' ' 19' ' ' LYS . 5.3 mp -113.05 86.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.5 t -93.86 -30.79 14.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.447 ' N ' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -148.7 145.94 27.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.505 ' CZ ' HD21 ' A' ' 14' ' ' LEU . 38.2 m-85 -80.37 39.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 32.0 p -128.84 -68.61 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -86.67 -38.11 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 48.9 m -46.33 -28.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CH2' HD22 ' A' ' 105' ' ' LEU . 14.3 m95 -111.11 -22.19 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 94' ' ' ALA . 5.5 ttp180 -35.32 -57.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.496 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 8.8 p-10 -59.95 -55.56 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.42 -7.55 9.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.11 -55.04 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -54.59 -46.63 73.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 9.5 m-85 -53.13 -49.25 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 70.0 m -67.53 -44.7 77.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.98 -54.46 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.0 mt -51.54 -60.45 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.1 tp -57.83 -24.41 57.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' A' ' 57' ' ' TYR . 47.9 t-80 -77.22 -33.55 56.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.422 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 11.9 t60 -59.52 -47.32 85.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CD2' ' CE2' ' A' ' 112' ' ' PHE . 2.0 m-85 -71.15 -38.71 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 6.0 mmt180 -144.95 105.38 4.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.858 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.6 5.42 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.302 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -108.4 -31.48 7.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 51' ' ' ARG . 12.8 mt -47.73 -40.67 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.46 177.08 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -108.21 30.12 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.564 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 36.4 t80 -53.92 -21.9 8.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -62.74 -24.23 67.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -130.94 28.72 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.1 mt -92.95 -174.84 3.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.9 m120 -172.1 159.62 4.39 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 3.17 2.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.93 -10.53 59.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.427 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 16.0 m-20 -114.6 113.55 24.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.1 mt -95.31 -52.4 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 15.4 ttpp -68.5 -55.4 11.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 3.0 tp10 -52.45 -67.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' GLU . 54.2 m-20 -35.33 -40.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.4 m-80 -75.43 -47.75 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' GLU . 18.4 ttpt -56.14 -40.96 74.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -53.89 -48.73 69.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -63.2 -63.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.442 ' CZ ' ' O ' ' A' ' 85' ' ' LEU . 22.6 m-85 -39.09 -35.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.33 -38.98 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -72.64 -60.69 3.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.442 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 46.3 m-85 -50.95 -49.79 59.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.08 -27.18 68.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 t -48.81 -32.85 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 76' ' ' PHE . 8.7 pt -93.8 -31.1 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.15 -23.69 0.59 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.4 mt -57.37 90.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.3 m -47.04 171.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.45 106.16 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.25 -36.38 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.442 ' O ' ' CZ ' ' A' ' 73' ' ' TYR . 15.7 tp -105.07 140.44 38.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -99.21 148.32 34.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.409 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.77 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.469 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 90.7 p -53.63 -55.44 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -38.59 -47.98 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.9 mmt -50.78 -45.54 59.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.69 -46.89 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.2 mt -55.38 -69.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.96 147.2 48.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.422 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -69.31 -48.03 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.2 mm -128.42 123.35 22.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.488 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.7 Cg_endo -69.76 151.01 68.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.317 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.79 109.97 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -49.16 -44.69 43.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.37 -51.88 66.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.5 m -57.51 -55.59 32.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 87.9 t -53.27 -61.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.479 ' HE2' ' CD2' ' A' ' 33' ' ' PHE . 10.4 mtp -46.57 -41.7 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.7 m -56.78 -54.33 47.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -53.94 -58.85 5.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.569 HD22 ' CH2' ' A' ' 37' ' ' TRP . 15.1 mt -42.72 -57.31 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' LEU . 19.1 m-85 -36.84 -34.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 105' ' ' LEU . 65.8 mm-40 -65.75 -56.59 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 mp -57.56 -62.46 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.417 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 22.9 ttt180 -47.87 -36.06 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.14 -31.77 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -67.4 -48.91 65.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.701 ' CE2' ' CD2' ' A' ' 50' ' ' PHE . 36.6 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m -92.94 143.93 25.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -147.64 113.23 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.82 77.5 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m 41.2 43.81 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -105.69 81.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.49 74.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 110.23 2.52 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.653 2.235 . . . . 0.0 112.299 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 9' ' ' ASN . 2.3 p30 -142.21 143.65 33.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.96 165.49 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.6 p -85.35 -56.7 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' A' ' 13' ' ' SER . 1.2 tm0? -58.49 -46.56 86.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' OE1' ' A' ' 12' ' ' GLN . 9.3 t -43.81 -48.83 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' VAL . 32.0 tp -65.72 -68.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' LEU . 4.9 tp -37.57 -30.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' LEU . 89.5 t -81.22 -49.38 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -48.3 -44.31 33.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 p -71.28 -45.52 62.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -65.24 -22.33 66.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -75.27 -61.77 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.475 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.4 m -58.36 -18.9 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.537 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 77.9 p -111.54 19.79 17.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -62.48 -38.17 88.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -102.28 46.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.537 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 7.9 m-85 -119.64 170.78 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 26' ' ' ARG . 1.7 mpp_? -114.96 127.7 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.18 30.02 63.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.529 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.2 t -114.88 91.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 31' ' ' THR . 19.5 tttp -121.51 86.84 2.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mp -64.96 73.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' LYS . 32.8 p -79.98 -38.79 31.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.6 OUTLIER -136.59 165.49 25.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.555 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 34.1 m-85 -101.88 6.92 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.424 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 25.3 p -107.32 -60.81 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 38' ' ' ARG . 22.2 p -80.94 -54.06 5.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' ASN . 1.8 t -37.34 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.555 ' CD1' ' HA ' ' A' ' 33' ' ' PHE . 16.0 m95 -106.7 -21.51 13.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 35' ' ' THR . 27.9 ttp180 -37.53 -49.09 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 p30 -73.57 -51.33 17.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.37 34.48 1.1 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.8 -61.7 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.495 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 50.7 m -53.34 -33.89 55.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -62.06 -43.09 99.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.3 m -78.85 -34.37 45.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.437 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -61.24 -47.24 86.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.62 -59.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.7 tp -54.81 -28.75 51.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 53.9 t-80 -73.93 -29.69 62.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.475 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 25.1 t60 -59.17 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -75.47 -52.62 10.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.68 88.1 54.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -5.05 15.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.226 . . . . 0.0 112.382 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.52 17.33 23.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.12 -35.53 8.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -118.88 -179.11 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.83 25.43 11.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 23.2 t80 -50.13 -20.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -60.55 -32.47 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -129.22 34.0 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.7 mt -91.81 -175.06 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.7 m120 -173.35 159.71 3.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 3.26 2.87 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.623 2.215 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.45 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.6 pp0? -80.37 -7.72 59.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 14.9 m-20 -117.48 113.59 22.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.8 mt -96.65 -48.13 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -69.66 -56.12 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' ASN . 2.3 tp10 -54.08 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' GLU . 73.3 m-20 -34.35 -41.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 2.4 m-80 -73.08 -52.79 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -52.32 -48.34 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -50.26 -45.56 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.98 -67.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.4 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 8.4 m-85 -43.23 -32.17 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -68.02 -42.7 80.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 78' ' ' SER . . . -79.95 -54.93 3.7 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -52.13 -53.64 40.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.99 -8.06 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 2.5 t -72.67 -35.79 67.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.413 HD11 ' NE2' ' A' ' 111' ' ' HIS . 11.2 pt -84.42 -23.74 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.48 27.88 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.408 HD13 ' CD1' ' A' ' 79' ' ' ILE . 96.4 mt -99.6 95.91 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.6 m -44.19 138.87 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.06 128.41 35.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.4 mt -113.2 -40.54 3.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 tp -96.54 150.97 20.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -110.85 146.07 33.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.7 Cg_endo -69.81 -43.14 2.79 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 p -61.73 -53.04 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -37.84 -55.78 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mmt -42.56 -40.74 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 t -79.5 -41.91 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.3 mt -53.08 -27.48 20.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.31 -174.9 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.43 -66.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.109 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.2 mm -107.1 128.06 26.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.424 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.0 Cg_endo -69.76 -178.53 2.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -92.51 107.31 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -48.32 -43.74 33.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.12 -48.89 79.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.7 m -62.28 -62.56 1.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.3 t -42.67 -62.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.6 mtp -44.56 -47.15 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.8 m -52.27 -53.73 40.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -59.28 -46.11 89.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.485 HD21 ' CH2' ' A' ' 37' ' ' TRP . 13.7 mt -52.36 -56.87 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -41.38 -43.1 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -53.78 -60.18 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.1 mp -50.82 -55.83 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 -54.4 -34.05 60.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.37 64.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.413 ' NE2' HD11 ' A' ' 79' ' ' ILE . 29.6 t60 -49.34 -62.18 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -60.99 -44.68 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.4 t -113.97 94.85 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.3 t -42.37 153.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 176.98 -87.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 137.56 35.57 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.64 2.226 . . . . 0.0 112.355 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.6 t -126.45 84.53 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.7 m -80.47 139.65 36.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -120.36 107.1 12.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -40.36 -57.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.97 -156.45 28.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 m -104.56 97.72 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -88.1 -48.11 7.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.29 -164.73 25.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 93.05 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.316 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -94.18 159.24 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.33 93.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m 39.07 42.97 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.438 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 27.6 tt0 -123.34 -33.39 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.7 p -63.9 -40.54 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.3 tp -57.07 -61.36 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 3.5 tp -53.9 -20.96 6.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 12' ' ' GLN . 49.7 t -90.91 -32.0 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.404 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 78.7 t90 -65.27 -45.23 85.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -72.06 -31.52 66.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 19.5 mtpt -80.64 -30.01 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 59.7 tt0 -69.23 -49.83 52.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.566 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 4.5 m -67.94 -25.35 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.548 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 38.1 p -107.71 22.25 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' A' ' 20' ' ' GLU . 5.8 pttm -61.98 -35.45 78.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -105.93 47.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.569 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 7.3 m-85 -119.53 179.57 4.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -122.76 126.5 47.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.25 60.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.427 ' CG2' ' OH ' ' A' ' 57' ' ' TYR . 61.9 t -119.14 87.9 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.374 . . . . 0.0 111.122 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -119.58 85.8 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.411 HD12 ' CG1' ' A' ' 28' ' ' VAL . 5.3 mp -68.84 74.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -81.59 -30.66 32.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -137.57 -179.51 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.501 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 27.5 m-85 -117.51 24.88 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 35.0 p -124.7 -71.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.2 p -75.12 -47.73 27.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 t -44.71 -22.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.548 ' CZ3' HD22 ' A' ' 105' ' ' LEU . 55.5 m95 -110.83 -25.08 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -37.85 -48.66 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -67.04 -46.24 75.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 105.67 29.4 5.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.75 -61.29 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.544 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 74.1 m -50.92 -32.61 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -64.32 -46.2 84.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.0 m -75.01 -37.02 61.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.569 ' HB1' ' CD2' ' A' ' 25' ' ' TYR . . . -60.47 -47.33 86.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.6 mt -57.74 -59.47 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.437 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 27.7 tp -57.7 -25.79 60.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 65.1 t-80 -81.64 -21.14 38.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.566 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 34.7 t60 -66.21 -59.33 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.441 ' CE2' ' CD2' ' A' ' 112' ' ' PHE . 19.2 m-85 -72.1 -42.04 66.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 1.1 tpm_? -134.15 83.51 44.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.498 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.78 -0.81 7.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -100.74 14.35 31.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' CG ' ' A' ' 51' ' ' ARG . 32.9 mt -106.1 -27.42 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.7 -176.11 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -117.33 26.68 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.481 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 13.7 t80 -51.08 -20.01 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -61.58 -31.02 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.4 t -130.63 33.95 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CD1' ' HE3' ' A' ' 71' ' ' LYS . 10.3 mt -91.34 -177.69 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -166.53 160.05 11.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 3.28 2.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.413 ' C ' ' OE1' ' A' ' 63' ' ' GLN . 1.8 pp0? -80.25 -11.75 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -112.04 113.49 25.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.0 mt -102.14 -54.47 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -71.86 -33.98 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.43 -61.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.42 ' HA ' ' NZ ' ' A' ' 71' ' ' LYS . 35.5 m-20 -40.5 -51.05 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.566 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.7 m-80 -61.39 -57.95 10.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -43.02 -46.82 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 60' ' ' LEU . 28.6 mtmm -51.78 -57.79 8.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -51.8 -63.87 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 13.5 m-85 -38.22 -29.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' ALA . 7.9 t70 -77.16 -45.15 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -71.79 -39.1 60.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 27.5 m-85 -74.62 -46.03 41.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 73' ' ' TYR . . . -68.61 -23.4 64.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -58.68 -44.18 90.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' CG1' ' O ' ' A' ' 76' ' ' PHE . 11.2 pt -72.93 -35.53 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.29 40.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' SER . 64.5 mt -111.23 94.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ILE . 24.8 m -37.38 135.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -86.8 104.6 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -85.35 -53.73 5.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 tp -83.94 147.76 27.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -109.15 148.47 38.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.455 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.77 -46.66 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.0 t -63.99 -60.33 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -34.44 -46.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.497 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 5.8 mmm -51.51 -46.32 63.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 88' ' ' SER . 25.9 t -67.63 -46.75 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.8 mt -48.01 -63.96 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 pp -79.75 174.83 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.33 -63.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 43.7 mm -114.53 128.78 25.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.4 Cg_endo -69.73 152.23 69.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.381 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.35 99.93 1.28 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 34' ' ' THR . 26.1 ttpt -39.28 -47.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 74.2 mt -51.13 -51.11 56.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 101' ' ' VAL . 27.5 m -58.6 -72.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 100' ' ' THR . 95.4 t -36.75 -58.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.9 mtp -46.26 -49.1 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.3 m -54.21 -33.65 58.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -76.56 -44.45 34.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.548 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 16.6 mt -53.74 -51.29 63.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -47.17 -36.99 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.563 ' O ' ' CD2' ' A' ' 111' ' ' HIS . 51.8 mm-40 -61.92 -61.37 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.1 mp -53.47 -57.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.404 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -53.47 -34.75 59.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.15 -56.1 10.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 107' ' ' GLN . 57.3 m-70 -56.87 -52.16 66.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.441 ' CD2' ' CE2' ' A' ' 50' ' ' PHE . 10.3 m-85 -62.59 -42.34 99.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 t -138.42 138.9 38.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 t -98.04 171.77 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -84.13 -107.63 0.58 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.78 67.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 77.8 p -75.03 84.29 2.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 84.8 p -79.02 48.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.531 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.2 p -109.06 134.4 51.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -50.24 -44.45 53.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.29 151.02 9.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 m -73.87 -45.61 49.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -94.85 87.05 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.05 83.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.46 12.04 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -57.41 -58.75 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.87 144.08 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -81.89 7.34 13.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -88.69 -46.34 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 m -45.27 -37.95 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.9 tp -60.96 -66.91 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 4.7 tp -42.15 -42.69 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.79 -48.86 68.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 86.6 t90 -45.47 -48.25 13.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 m -64.74 -67.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -43.76 -24.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.35 -57.68 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.557 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 6.3 m -60.82 -25.33 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.555 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 65.1 p -110.11 23.38 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -66.09 -29.07 69.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -110.06 46.54 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 8.8 m-85 -119.8 177.62 4.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.6 126.4 52.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.83 32.13 77.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.74 89.56 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -121.71 108.43 13.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mp -93.25 75.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -79.42 -29.41 41.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -139.5 179.64 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 15' ' ' LEU . 35.3 m-85 -118.4 23.12 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.5 p -117.44 -73.31 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.3 p -80.66 -40.26 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 t -45.72 -26.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.516 ' CD1' ' HA ' ' A' ' 33' ' ' PHE . 28.4 m95 -110.35 -21.01 12.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.426 ' CZ ' HD12 ' A' ' 65' ' ' ILE . 15.2 ttt-85 -39.82 -44.93 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -68.99 -52.39 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.1 30.65 2.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 mt -81.67 -66.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.417 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 53.2 m -46.52 -39.96 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 15.1 m-85 -56.82 -56.08 26.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.6 m -65.29 -37.32 86.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.502 ' HB1' ' CD2' ' A' ' 25' ' ' TYR . . . -60.78 -47.2 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.6 mt -55.93 -59.41 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.4 tp -53.67 -31.07 46.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 33.9 t-80 -74.53 -34.03 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.557 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 32.6 t60 -53.84 -47.71 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -76.89 -44.53 31.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 5.9 mmt180 -133.12 96.95 17.02 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.606 0.717 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 3.53 2.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -120.87 28.36 7.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -109.98 -37.21 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.3 -177.18 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -113.86 29.61 7.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -54.32 -26.13 27.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -61.77 -20.66 63.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -132.09 26.61 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.9 mt -92.47 -175.15 3.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.9 m120 -171.49 159.62 4.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 2.97 3.1 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.84 -8.33 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.42 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 10.5 m-20 -116.57 112.68 21.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.426 HD12 ' CZ ' ' A' ' 38' ' ' ARG . 14.3 mt -95.8 -48.3 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 91' ' ' VAL . 1.3 ttmp? -75.52 -49.86 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' ASN . 11.5 tt0 -58.92 -65.06 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' GLU . 29.8 m-20 -34.93 -56.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.487 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 17.1 m-80 -59.89 -48.24 82.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -52.41 -44.84 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -47.42 -55.59 8.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -58.13 -65.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 19.6 m-85 -34.63 -48.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -57.82 -45.86 85.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -73.49 -55.93 5.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -50.27 -52.15 38.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.84 -7.54 28.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 4.0 t -74.31 -38.14 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.2 pt -83.39 -29.27 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.06 32.17 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.3 mt -105.92 102.08 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.147 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.2 m -56.68 111.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -67.8 102.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.24 -48.41 15.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.31 154.8 23.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -112.79 144.7 31.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.711 0.767 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.482 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.1 Cg_endo -69.81 -46.44 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.298 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.3 m -60.09 -48.01 83.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -43.62 -49.98 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -46.95 -38.22 10.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 66' ' ' LYS . 33.6 t -79.83 -45.9 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.5 mt -48.86 -60.48 2.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 pp -88.39 -178.78 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.42 -65.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.4 mm -109.38 125.07 32.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.08 54.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.375 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LYS . 0.7 OUTLIER -79.99 98.45 7.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 97' ' ' ASP . 23.0 ttpt -35.62 -54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.4 mt -44.56 -48.3 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.0 m -63.4 -62.0 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.9 t -47.79 -61.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 24.9 mtp -42.56 -47.34 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.6 m -54.47 -54.43 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -53.88 -54.32 40.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.516 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 17.6 mt -42.81 -60.58 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -38.43 -37.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -59.81 -55.26 36.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.2 mp -58.08 -58.88 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.478 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.42 -41.03 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.89 -46.01 79.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -47.21 -60.68 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.62 -49.14 56.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.3 t -102.16 103.54 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -56.1 165.16 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.7 -157.48 1.18 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.0 7.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.6 m -102.2 135.35 43.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.8 t -97.04 96.99 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.457 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -101.52 109.16 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 p -73.65 -47.65 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.15 -106.58 0.91 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -94.6 126.82 40.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -60.52 130.29 45.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.32 131.27 2.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' ASN . 53.8 Cg_endo -69.79 -0.74 7.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' PRO . 2.8 t30 -34.81 -46.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.63 136.0 37.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' GLN . 49.2 p -53.82 -52.82 59.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' SER . 36.0 tp60 -34.64 -41.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 t -42.19 -50.52 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 33' ' ' PHE . 13.3 tp -65.65 -59.92 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD11 ' CE2' ' A' ' 33' ' ' PHE . 4.4 tp -38.85 -41.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.6 t -68.84 -56.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 78.7 t90 -41.91 -49.06 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 m -61.24 -48.76 79.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -65.28 -24.66 67.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.46 -60.29 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 m -58.22 -18.52 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.51 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 68.6 p -114.51 20.67 15.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -66.75 -27.99 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -108.02 39.85 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.51 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 12.3 m-85 -118.39 -179.65 3.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 26' ' ' ARG . 2.0 mpp_? -122.03 134.21 54.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.76 37.74 95.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.537 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -118.78 86.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -117.13 103.18 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -84.62 58.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 48.3 p -71.26 -27.35 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -140.01 171.14 14.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.532 ' CE1' HD22 ' A' ' 14' ' ' LEU . 36.4 m-85 -114.5 34.57 4.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.8 p -131.59 -67.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 37' ' ' TRP . 63.5 p -80.47 -49.2 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -38.89 -27.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 26.9 m95 -107.33 -26.95 10.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' THR . 23.6 ttp85 -35.76 -49.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -66.43 -46.78 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.79 29.36 4.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -80.85 -68.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.2 m -43.63 -37.78 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.44 -54.85 41.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.9 m -66.79 -35.97 81.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB1' ' CE2' ' A' ' 57' ' ' TYR . . . -62.33 -49.15 76.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.84 -54.71 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 44.5 tp -62.0 -24.7 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.6 t-80 -79.83 -30.65 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.412 ' N ' ' OH ' ' A' ' 25' ' ' TYR . 38.6 t60 -55.12 -62.44 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -61.01 -51.94 67.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 14.2 tpp180 -129.4 93.28 36.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.466 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 2.97 3.06 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -112.9 28.6 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.1 mt -114.01 -34.15 5.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.404 ' CG2' ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.35 -176.4 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' H ' ' CG2' ' A' ' 55' ' ' ILE . 2.6 m-20 -112.78 28.98 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 23.3 t80 -55.79 -18.48 8.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -68.88 -21.05 64.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -132.76 23.6 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.4 mt -86.78 -174.94 5.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.2 m120 -171.63 159.91 4.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.29 2.85 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.737 2.292 . . . . 0.0 112.328 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' C ' ' OE1' ' A' ' 63' ' ' GLN . 1.7 pp0? -80.13 -11.47 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -112.05 114.23 26.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.41 HD13 ' NH1' ' A' ' 38' ' ' ARG . 18.5 mt -100.39 -44.13 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HD2' ' CB ' ' A' ' 88' ' ' SER . 13.9 ttpt -79.34 -42.75 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 68' ' ' ASN . 4.5 tp10 -66.55 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' GLU . 21.3 m-20 -35.59 -53.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -62.28 -47.32 84.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -53.33 -47.18 69.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -47.85 -59.53 3.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -48.48 -71.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' ALA . 7.9 m-85 -34.07 -51.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -51.96 -46.22 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.89 -54.32 4.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 29.0 m-85 -49.84 -56.12 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.46 -8.56 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.051 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 3.2 t -74.31 -37.46 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.1 pt -83.45 -31.36 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.7 35.83 0.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.8 mt -109.47 93.63 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.7 p -44.27 129.64 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.22 124.5 28.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.4 mt -107.43 -50.82 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.7 tp -90.2 147.62 23.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -102.28 145.85 31.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.732 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.3 Cg_endo -69.78 -43.22 2.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.64 2.227 . . . . 0.0 112.337 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ASP . 88.2 p -67.06 -50.87 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' SER . 1.5 m-20 -36.67 -47.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.2 mmt -50.13 -47.84 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.8 t -68.17 -49.34 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.1 mt -41.94 -59.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 93' ' ' LEU . 1.1 pp -95.06 -179.43 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.42 -67.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.5 mm -111.08 130.31 23.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.623 0.725 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.18 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.242 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 98' ' ' LYS . 23.8 m-20 -100.03 98.17 8.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 97' ' ' ASP . 16.6 tttp -34.33 -54.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.2 mt -51.11 -54.58 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 98.7 m -53.56 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.6 t -43.27 -60.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.502 ' HE1' ' CE2' ' A' ' 33' ' ' PHE . 30.8 mtp -47.93 -47.14 32.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.3 m -51.01 -51.68 50.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -59.9 -50.24 74.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.546 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 12.2 mt -47.06 -59.61 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 105' ' ' LEU . 21.9 m-85 -37.57 -43.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -53.87 -60.66 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.2 mp -48.17 -53.4 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.544 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 31.9 ttt-85 -60.79 -36.85 80.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.51 84.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -52.96 -61.58 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -66.19 -59.48 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 t -89.89 124.91 35.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 p -81.98 93.11 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.44 -84.99 1.64 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.02 69.25 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.2 m -97.12 154.92 17.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.0 t -104.69 -56.12 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 m -51.74 157.38 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 p -124.11 -4.19 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.01 127.52 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -44.07 -44.58 7.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 0.0 110.823 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 p -123.34 157.51 33.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.88 78.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -1.17 8.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 1.0 OUTLIER -71.42 67.94 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.32 127.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.4 p -52.6 -43.85 65.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' SER . 28.7 tt0 -62.91 -54.62 35.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' GLN . 68.3 m -36.3 -70.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.449 HD23 ' CE1' ' A' ' 106' ' ' TYR . 47.2 tp -44.85 -53.04 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -52.16 -33.16 39.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.4 t -76.54 -46.28 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.518 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 75.0 t90 -48.68 -45.78 39.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 m -71.05 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -48.9 -26.21 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -73.12 -56.86 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 22' ' ' THR . 14.1 m -62.52 -23.34 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 32.7 p -109.44 24.13 13.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -64.52 -33.38 75.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -114.48 56.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 5.5 m-85 -122.1 173.78 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 -112.3 111.29 22.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.11 48.17 8.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.3 t -130.66 88.37 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -119.0 93.33 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 30' ' ' ILE . 5.2 mp -73.35 67.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m -80.71 -18.73 46.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -143.12 179.97 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CD1' ' SD ' ' A' ' 102' ' ' MET . 25.8 m-85 -124.9 22.07 8.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.0 p -126.76 -70.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.3 p -74.93 -46.28 36.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -45.16 -25.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.458 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 56.4 m95 -106.45 -24.72 12.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' NH1' ' CD1' ' A' ' 65' ' ' ILE . 19.5 ttp85 -37.05 -53.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -61.67 -42.82 99.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.02 33.24 4.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -87.02 -65.88 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.458 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 58.5 m -49.68 -27.4 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -69.66 -49.1 56.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.6 m -72.2 -40.75 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.571 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -51.09 -54.91 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.051 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.9 mt -48.68 -65.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 tp -50.58 -26.59 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 46.3 t-80 -74.69 -36.72 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.426 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 10.0 t60 -50.29 -55.55 14.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.54 -43.47 63.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -134.97 93.43 17.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.512 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 3.29 2.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -108.69 -28.43 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.31 -34.44 57.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.65 -177.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -115.3 27.44 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 13.4 t80 -54.16 -20.31 6.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -63.55 -23.24 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.2 t -134.4 30.3 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.1 mt -92.21 -174.83 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.7 m120 -173.33 159.75 3.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.39 2.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.6 pp0? -81.08 -5.37 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 9.5 m-20 -120.38 113.3 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.478 ' CD1' ' NH1' ' A' ' 38' ' ' ARG . 15.8 mt -97.83 -46.77 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -74.88 -48.46 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 37.7 tt0 -61.34 -65.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' GLU . 17.3 m-20 -35.19 -55.42 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.33 -46.23 91.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -55.03 -38.27 67.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -52.28 -54.35 32.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -57.98 -64.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.107 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.426 ' CD2' ' HD3' ' A' ' 87' ' ' PRO . 16.3 m-85 -37.83 -28.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' ALA . 19.6 t70 -85.59 -41.66 15.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.44 -50.93 8.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -58.31 -31.3 67.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.71 -4.2 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.4 m -71.59 -35.61 70.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.403 ' H ' ' CD1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -91.2 -36.22 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.52 42.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.8 mt -107.62 88.29 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.6 m -40.63 130.06 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -81.88 115.67 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 67.4 mt -98.4 -50.31 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.9 tp -85.43 147.27 26.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -105.0 148.15 35.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.426 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.7 Cg_endo -69.79 -45.76 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.0 p -62.59 -41.63 99.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -48.36 -50.7 29.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.0 mmt -50.6 -28.02 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.4 t -87.72 -46.31 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.8 mt -47.49 -68.07 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 pp -81.89 176.16 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.21 -64.19 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.8 mm -112.94 125.78 29.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.23 19.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 100' ' ' THR . 5.9 m-20 -83.79 96.2 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 97' ' ' ASP . 21.7 tttt -34.33 -41.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.3 -49.95 74.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 103' ' ' THR . 89.6 m -59.32 -73.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' THR . 98.0 t -34.42 -56.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.531 ' SD ' ' CD1' ' A' ' 33' ' ' PHE . 26.1 mmm -52.29 -42.65 63.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 100' ' ' THR . 97.9 m -57.64 -38.46 75.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -73.01 -43.49 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.429 HD21 ' CH2' ' A' ' 37' ' ' TRP . 14.1 mt -52.21 -55.26 22.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.449 ' CE1' HD23 ' A' ' 14' ' ' LEU . 23.8 m-85 -41.73 -34.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -63.14 -59.16 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.0 mp -51.09 -58.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.518 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 9.2 ttt-85 -55.08 -39.41 69.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.12 -51.84 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -51.71 -67.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -56.04 -50.24 71.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -104.15 96.19 6.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.7 p -39.7 129.04 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.43 -147.23 4.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 90.73 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.353 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.2 t -161.95 124.74 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.2 t -45.12 -59.07 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -130.67 -55.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -65.33 114.95 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.03 107.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -162.02 145.37 11.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -140.82 152.39 45.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.13 145.57 17.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.535 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -0.4 6.9 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -41.79 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.07 174.67 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -86.55 11.23 13.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -76.2 -43.24 43.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -52.7 -50.56 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 33' ' ' PHE . 31.3 tp -58.86 -65.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' CD1' HG23 ' A' ' 30' ' ' ILE . 7.7 tp -39.38 -42.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.74 -35.13 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 41.8 t90 -45.29 -49.07 12.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.6 t -69.62 -56.04 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 30' ' ' ILE . 8.1 mtpm? -52.57 -17.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -81.37 -56.71 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.461 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.5 m -68.91 -20.6 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.566 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 44.0 p -105.56 25.84 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -72.42 -33.11 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -102.74 42.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 17.1 m-85 -119.02 176.21 5.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -122.63 111.07 16.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.75 44.74 7.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.428 ' CG2' ' OH ' ' A' ' 57' ' ' TYR . 32.5 t -128.99 96.2 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.102 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -120.37 143.91 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -118.57 56.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.5 m -74.19 -17.61 60.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.172 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -145.79 176.26 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CE1' HD21 ' A' ' 14' ' ' LEU . 8.5 m-85 -120.99 24.67 10.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.419 ' CB ' ' HG2' ' A' ' 96' ' ' PRO . 0.7 OUTLIER -134.5 -69.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.449 ' CG2' HD12 ' A' ' 95' ' ' ILE . 34.5 p -74.5 -31.45 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -61.36 -29.12 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 22.9 m95 -107.09 -18.49 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.1 ttt-85 -37.93 -49.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -64.82 -55.3 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.7 26.55 2.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -78.85 -69.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.519 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 63.4 m -43.32 -33.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 9.4 m-85 -65.51 -54.02 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.7 m -65.78 -39.31 90.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.522 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -59.91 -47.07 87.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mt -56.94 -53.1 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.6 tp -63.68 -29.39 70.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 61.5 t-80 -74.52 -33.99 62.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.461 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 72.7 t60 -52.95 -60.59 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -61.81 -51.17 69.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -132.84 94.54 21.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.822 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.77 0.58 5.45 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -107.58 20.26 19.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.52 -34.6 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.25 -179.61 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -112.33 31.31 6.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 12.0 t80 -56.81 -21.32 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -64.33 -20.35 66.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -133.85 25.79 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.6 mt -89.3 -174.64 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 4.8 m120 -173.68 160.21 3.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.83 2.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.421 ' C ' ' CD ' ' A' ' 63' ' ' GLN . 1.5 pp0? -82.35 -4.79 57.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -119.65 113.64 20.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.9 mt -98.7 -43.72 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 21.8 ttpt -76.9 -51.99 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 68' ' ' ASN . 3.7 tp10 -56.54 -66.23 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 67' ' ' GLU . 53.3 m-20 -34.37 -49.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.2 m-80 -62.99 -52.09 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -52.79 -44.68 66.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -49.0 -58.51 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.0 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 72' ' ' ALA . 13.6 m-30 -37.85 -39.06 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.43 -42.08 83.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.39 -58.43 4.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -52.7 -46.15 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.29 0.41 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -85.75 -32.54 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 pt -87.11 -30.84 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.17 33.71 0.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -106.71 87.55 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.5 m -47.94 107.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 151.92 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.2 mt -131.48 -49.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 tp -82.59 157.24 23.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HB2' ' CG ' ' A' ' 89' ' ' ASP . 15.9 mt-10 -106.84 142.78 25.72 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.635 0.731 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -43.41 2.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.441 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 59.9 p -68.53 -38.71 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.415 ' CG ' ' HB2' ' A' ' 86' ' ' GLU . 6.8 m-20 -49.05 -51.07 33.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -49.0 -19.57 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.8 t -99.82 -41.97 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.7 mt -51.06 -33.02 23.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.87 178.43 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.57 -66.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.449 HD12 ' CG2' ' A' ' 35' ' ' THR . 3.1 mm -107.72 128.74 25.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.419 ' HG2' ' CB ' ' A' ' 34' ' ' THR . 53.5 Cg_endo -69.8 -171.14 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.99 98.0 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -38.19 -39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.42 -54.16 44.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.1 m -57.77 -67.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -39.74 -60.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.3 mtp -42.99 -52.55 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.5 m -47.54 -44.79 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -67.39 -47.61 69.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 106' ' ' TYR . 20.4 mt -51.32 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 105' ' ' LEU . 43.7 m-85 -34.24 -40.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -60.02 -56.83 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.0 mp -53.66 -50.67 49.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 18.6 ttp180 -60.03 -39.1 84.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 114' ' ' SER . . . -66.34 -46.55 76.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -48.03 -50.54 27.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -80.47 -61.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.6 m -58.65 -58.63 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 110' ' ' ALA . 3.4 m 62.34 42.73 8.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.62 -172.93 55.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -19.1 36.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.629 2.219 . . . . 0.0 112.364 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.9 t -98.88 161.42 13.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 t -138.68 153.91 48.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -75.79 160.66 29.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -126.12 163.99 21.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.31 169.26 35.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -145.7 161.11 40.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -149.79 159.77 44.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.94 -158.03 10.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' ASN . 54.0 Cg_endo -69.72 2.87 3.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' PRO . 9.6 p-10 -34.29 -48.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.96 156.07 45.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' GLN . 83.6 p -49.06 -43.12 40.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' SER . 32.8 tt0 -35.79 -38.55 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 p -42.07 -68.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' TRP . 20.5 tp -41.45 -60.18 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -46.06 -30.24 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.8 t -87.68 -26.76 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.457 ' CG ' ' HG3' ' A' ' 109' ' ' ARG . 74.0 t90 -68.34 -38.45 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -75.92 -49.89 16.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -61.77 -16.15 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -81.55 -57.04 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.505 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 2.0 m -65.86 -21.21 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 80.4 p -102.37 28.32 6.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -75.97 124.1 26.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 68.51 40.31 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.562 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 4.4 m-85 -94.17 170.38 9.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -83.03 63.82 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 84.99 1.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG1' ' HB ' ' A' ' 22' ' ' THR . 60.9 t -147.36 107.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 130.91 50.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mp -120.28 84.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -98.04 -24.13 15.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -146.52 164.09 33.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CD2' ' HE3' ' A' ' 102' ' ' MET . 51.4 m-85 -105.41 40.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 p -133.33 -74.41 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.454 HG23 ' CD1' ' A' ' 95' ' ' ILE . 35.2 p -79.66 -39.66 30.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -45.25 -31.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 36.2 m95 -104.98 -21.16 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -40.13 -40.37 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 5.3 p-10 -74.94 -57.05 4.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.83 -22.56 4.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 mt -38.36 -54.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.559 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 51.9 m -59.24 -41.48 88.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.65 -51.13 70.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' ALA . 90.8 m -68.06 -59.44 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -34.53 -48.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.8 mt -55.27 -59.99 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 37.7 tp -56.36 -24.05 41.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 12.2 t-80 -75.5 -33.84 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.475 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 26.7 t60 -54.76 -47.3 74.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -73.36 -44.35 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 5.3 mmm180 -143.74 105.82 4.97 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 3.18 2.93 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.46 -42.3 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.72 -34.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.41 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -125.11 -175.8 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -117.79 26.73 9.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 15.9 t80 -52.38 -20.12 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -61.24 -26.42 67.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -133.3 33.3 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.7 mt -94.98 -175.42 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.5 m120 -171.9 159.78 4.59 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.5 2.76 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.445 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -78.9 -17.42 55.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 18.3 m-20 -106.26 114.67 28.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 39.7 mt -97.03 -48.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 20.1 ttpt -74.3 -51.52 14.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 68' ' ' ASN . 18.2 tt0 -57.08 -64.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' GLU . 36.0 m-20 -36.56 -50.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.2 m-80 -64.46 -47.5 78.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -54.55 -52.14 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -46.49 -37.77 8.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -69.9 -69.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.479 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 19.0 m-85 -35.78 -41.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -63.56 -45.1 92.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -71.7 -52.02 13.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 62.3 m-85 -60.42 -49.5 77.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.75 -12.07 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 t -67.24 -29.39 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.9 pt -95.71 -29.04 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.95 -23.71 0.9 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.496 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.44 98.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -48.5 177.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 76.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 104' ' ' TYR . 0.6 OUTLIER -56.65 -52.39 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.429 HD22 ' CE ' ' A' ' 90' ' ' MET . 15.9 tp -104.39 160.0 15.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -111.59 149.26 40.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.479 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.4 Cg_endo -69.76 -46.97 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.47 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 90.4 p -64.25 -46.31 84.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -45.01 -51.35 10.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.429 ' CE ' HD22 ' A' ' 85' ' ' LEU . 3.2 mmt -49.78 -30.38 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.3 t -86.73 -43.69 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 76.7 mt -47.85 -46.41 31.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.9 167.79 9.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.03 -50.37 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.454 ' CD1' HG23 ' A' ' 35' ' ' THR . 45.7 mm -124.13 127.25 25.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 173.29 11.18 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 98' ' ' LYS . 21.3 m-20 -91.58 95.14 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' ASP . 7.1 tmtt? -34.42 -45.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.4 mt -53.92 -49.11 69.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' ASP . 98.3 m -65.78 -55.99 14.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.6 t -46.62 -64.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.45 ' HE3' ' CD2' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -41.27 -51.28 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.9 m -47.26 -52.97 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 84' ' ' LEU . 11.4 t80 -55.83 -59.77 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.424 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 31.6 mt -44.58 -56.19 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -42.32 -35.09 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -64.16 -49.97 70.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.422 HG21 ' CH2' ' A' ' 17' ' ' TRP . 4.3 mp -62.48 -58.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.457 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 6.0 ttt85 -47.2 -36.27 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.33 -41.46 56.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -51.57 -56.09 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -77.74 -49.64 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.5 t -111.17 88.28 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 m -59.12 159.95 6.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.47 -156.11 21.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 143.27 50.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.3 t -85.12 -52.77 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.9 m -62.49 164.44 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.416 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -151.96 136.04 16.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -79.3 128.11 32.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.21 140.68 3.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -156.75 151.68 26.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -104.66 161.21 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.87 172.71 30.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.59 45.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -142.26 179.42 6.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.92 158.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 m -39.64 -35.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' SER . 22.0 tt0 -42.04 -48.05 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' GLN . 81.8 p -35.97 -56.83 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 15' ' ' LEU . 24.8 tp -58.37 -62.53 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.0 tp -37.42 -39.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' TRP . 84.5 t -73.25 -53.59 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.515 ' CG ' ' HG3' ' A' ' 109' ' ' ARG . 61.6 t90 -34.35 -43.74 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.4 t -73.29 -64.35 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -41.16 -36.7 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.5 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.544 ' O ' ' CZ ' ' A' ' 25' ' ' TYR . 4.4 m -54.54 -19.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.554 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 43.1 p -110.21 24.91 12.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 13.7 mmmt -54.95 120.57 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.495 ' CG ' ' C ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER 50.59 54.98 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 2.6 m-85 -94.3 -175.47 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -81.06 84.08 6.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.44 62.53 4.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.432 ' CG1' HD11 ' A' ' 30' ' ' ILE . 84.1 t -124.03 86.64 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -112.69 100.35 8.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.432 HD11 ' CG1' ' A' ' 28' ' ' VAL . 5.2 mp -84.48 73.82 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -83.18 -28.94 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -137.53 -179.38 5.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 8.2 m-85 -120.55 24.57 10.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 18.0 p -127.78 -62.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.7 p -82.03 -50.69 8.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -43.27 -28.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 43.7 m95 -103.58 -26.83 12.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' TRP . 24.1 ttt-85 -35.92 -52.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 p30 -62.3 -55.02 32.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.93 34.13 1.56 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.3 mt -90.32 -39.56 12.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.554 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 61.4 m -70.35 -26.92 63.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -74.08 -46.26 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.0 m -75.61 -31.42 59.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.509 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . . . -64.88 -44.48 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.442 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 52.6 mt -58.15 -62.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 33.1 tp -52.26 -22.38 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.1 t-80 -75.39 -45.68 37.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -44.84 -48.68 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -74.37 -49.96 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 8.7 tpp180 -134.67 99.55 12.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.577 0.703 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.77 3.42 2.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -104.49 -36.66 7.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.4 mt -45.83 -40.18 9.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.64 -175.09 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.405 ' HB2' ' NZ ' ' A' ' 71' ' ' LYS . 47.1 m-20 -117.67 28.09 8.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.547 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 35.6 t80 -51.48 -18.71 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -63.3 -31.17 72.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -128.3 31.75 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.3 mt -91.19 -175.84 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.5 m120 -171.75 159.79 4.73 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.677 0.751 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 2.95 3.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.69 -10.58 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 10.9 m-20 -113.42 112.62 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.5 mt -100.54 -45.81 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -75.6 -42.35 52.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' ASN . 14.0 tt0 -67.89 -67.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 67' ' ' GLU . 31.4 m-20 -34.21 -57.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 8.0 m-80 -56.1 -55.88 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -48.82 -43.33 38.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' NZ ' ' HB2' ' A' ' 56' ' ' ASP . 6.8 mtpt -49.08 -58.55 4.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -53.56 -66.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.489 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 6.4 m-85 -36.47 -38.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.63 -44.25 64.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -68.2 -45.12 72.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.461 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 54.1 m-85 -72.36 -44.76 62.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 73' ' ' TYR . . . -71.17 -10.88 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.5 t -72.66 -31.43 65.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.2 pt -89.82 -38.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.19 -18.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.1 91.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.2 p -52.45 124.34 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.476 ' HA ' ' CE1' ' A' ' 104' ' ' TYR . 1.5 ppt_? -74.02 137.62 43.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mp -113.2 -52.78 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -77.53 147.46 35.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.86 142.89 25.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.3 6.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.7 t -69.87 -56.6 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.429 ' OD1' ' C ' ' A' ' 89' ' ' ASP . 0.2 OUTLIER -38.45 -43.02 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.42 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 9.2 mmm -53.98 -44.8 71.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' SER . 60.5 t -67.27 -48.48 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 37.4 mt -49.82 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.423 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.5 pp -77.86 165.07 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.57 -55.66 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' C ' HD13 ' A' ' 93' ' ' LEU . 34.3 mm -118.43 123.74 29.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.729 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.9 Cg_endo -69.72 179.99 3.29 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.48 111.45 23.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -46.36 -50.62 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.96 -45.52 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.3 m -63.39 -65.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.9 t -42.98 -60.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.8 mtp -45.01 -46.02 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.3 m -50.66 -59.59 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.476 ' CE1' ' HA ' ' A' ' 83' ' ' ARG . 17.7 t80 -51.83 -48.48 63.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD22 ' CH2' ' A' ' 37' ' ' TRP . 15.3 mt -56.47 -51.57 67.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -44.66 -33.01 1.67 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -67.32 -46.11 74.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.465 HG23 ' CH2' ' A' ' 17' ' ' TRP . 3.7 mp -65.41 -60.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.515 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 27.2 ttt180 -48.14 -39.39 20.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.55 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -51.1 -57.19 9.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -74.74 -59.42 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.6 m -101.99 116.61 33.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.1 m -75.95 179.47 5.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 174.83 -94.1 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 93.42 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.3 m -48.26 -57.94 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.1 t -136.16 116.52 13.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -132.04 133.26 44.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -88.08 162.57 16.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.05 172.47 22.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -55.4 150.38 11.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -73.93 -46.09 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.22 161.31 17.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 111.55 2.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -101.6 -48.98 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.91 166.69 24.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLN . 79.1 p -39.88 -42.44 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' SER . 46.5 tt0 -38.15 -47.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.7 m -38.49 -64.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 tp -48.13 -57.82 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 3.0 tp -48.08 -30.73 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.0 t -83.86 -38.49 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.477 ' CG ' ' HG3' ' A' ' 109' ' ' ARG . 84.4 t90 -62.33 -44.86 95.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.15 -42.75 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 23.8 mtpt -68.6 -37.13 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.01 -57.07 14.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 HG21 ' N ' ' A' ' 22' ' ' THR . 13.8 m -59.74 -26.02 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.559 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 77.3 p -103.54 27.35 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -72.78 125.74 28.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 75.0 34.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.559 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 5.6 m-85 -95.08 -176.23 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -112.47 99.81 8.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.08 50.71 6.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.468 ' CG1' ' HB ' ' A' ' 22' ' ' THR . 92.3 t -131.23 84.05 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' THR . 19.0 ttmt -120.69 84.4 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mp -61.27 77.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' LYS . 19.4 p -79.03 -35.32 42.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -139.51 -179.19 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.502 ' CE2' ' HE1' ' A' ' 102' ' ' MET . 42.0 m-85 -117.03 30.23 7.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.0 p -128.31 -62.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' TRP . 68.7 p -87.05 -48.08 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -40.08 -28.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.574 ' CH2' HD22 ' A' ' 105' ' ' LEU . 30.5 m95 -106.96 -26.34 11.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' TRP . 18.9 ttp85 -34.2 -48.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -65.89 -54.27 28.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.29 -9.18 8.36 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.81 -59.52 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 14.2 m -52.86 -34.21 53.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 6.8 m-85 -65.66 -53.94 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 87.3 m -66.75 -56.41 10.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' CYS . . . -35.01 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' CYS . 70.1 mt -70.07 -57.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.76 -22.18 61.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 22.0 t-80 -78.02 -32.48 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.401 ' CD2' ' HA ' ' A' ' 21' ' ' VAL . 14.8 t60 -51.76 -56.73 12.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -69.52 -46.65 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 4.9 tpt180 -134.85 99.62 12.49 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.7 3.36 2.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.85 -41.71 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.16 -34.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.41 -177.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -116.69 31.69 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -54.96 -25.55 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -61.76 -18.11 58.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.0 t -135.03 26.84 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -93.26 -177.96 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -170.36 160.91 6.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 7.63 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.317 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.459 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 2.1 pp0? -84.97 -21.02 29.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.459 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 19.3 m-20 -103.03 114.67 29.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.36 -49.94 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -71.52 -51.54 23.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' ASN . 22.5 tt0 -56.44 -63.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 39.8 m-20 -36.4 -58.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.65 -53.28 59.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -48.75 -43.82 38.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -52.56 -51.12 61.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -56.65 -70.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.543 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 17.7 m-85 -34.6 -47.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.62 -46.18 77.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.99 -55.44 4.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 20.5 m-85 -49.09 -50.67 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.9 -24.12 65.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 t -54.4 -43.37 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.555 HD13 ' CE1' ' A' ' 111' ' ' HIS . 14.2 pt -76.04 -33.95 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.07 31.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.0 mt -101.43 103.11 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -51.92 121.01 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -78.24 116.16 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mp -95.66 -50.04 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.1 tp -90.9 147.5 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -106.54 151.33 40.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.729 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.543 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 54.1 Cg_endo -69.71 -47.71 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 t -56.81 -53.32 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -39.0 -50.29 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mmt -47.84 -40.95 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.2 t -75.48 -48.23 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.0 mt -44.26 -67.04 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 pp -86.07 166.97 15.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.49 -72.73 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.8 mm -109.86 129.1 24.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 179.93 3.33 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.71 105.17 17.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -41.59 -41.08 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.22 -45.39 93.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.7 m -65.56 -55.64 16.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.2 t -52.7 -64.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.502 ' HE1' ' CE2' ' A' ' 33' ' ' PHE . 1.7 mtp -38.31 -51.04 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -46.32 -58.31 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -52.68 -53.81 42.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.574 HD22 ' CH2' ' A' ' 37' ' ' TRP . 17.5 mt -47.21 -56.18 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -40.66 -35.23 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -64.88 -57.01 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.406 HG21 ' CH2' ' A' ' 17' ' ' TRP . 4.2 mp -51.76 -58.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.477 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 7.0 ttt85 -48.44 -41.81 30.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.93 -45.16 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.555 ' CE1' HD13 ' A' ' 79' ' ' ILE . 6.9 t60 -50.44 -59.6 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -70.28 -48.39 56.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -106.95 106.46 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.0 p -63.33 146.32 53.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.57 -164.29 14.76 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.46 3.36 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.5 p -76.07 133.26 40.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 119' ' ' GLY . 58.1 p -67.75 81.38 0.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 118' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p 36.86 42.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 m -101.34 133.47 45.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.88 120.86 6.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m -96.94 46.2 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -132.59 148.05 52.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.1 79.32 1.45 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' ALA . 53.3 Cg_endo -69.82 -10.16 27.82 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.335 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -50.89 87.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -172.78 143.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 p -84.71 21.56 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -119.39 -39.4 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -49.36 -44.45 44.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 17' ' ' TRP . 28.3 tp -57.63 -69.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 tp -39.78 -26.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' LEU . 22.6 t -88.79 -38.37 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.553 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 74.1 t90 -56.58 -40.12 74.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -76.81 -54.52 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -57.55 -22.72 46.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.06 -56.72 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.565 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.3 m -61.81 -23.12 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 48.3 p -102.08 21.11 15.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -59.51 117.18 4.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 66.87 53.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 22' ' ' THR . 7.3 m-85 -113.25 -179.9 3.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' GLY . 16.9 tpp180 -71.32 107.08 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . 36.43 73.12 0.12 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.436 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.97 93.33 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -122.32 101.26 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mp -87.56 68.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.7 m -79.93 -14.39 58.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -151.59 177.02 10.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.483 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 19.8 m-85 -116.64 34.4 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.5 p -131.64 -72.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' TRP . 70.4 p -74.96 -53.39 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -39.73 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.561 ' CH2' HD22 ' A' ' 105' ' ' LEU . 43.5 m95 -107.36 -26.32 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' THR . 11.9 ttp85 -37.03 -55.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.495 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 4.1 p-10 -56.64 -58.56 7.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.52 1.03 7.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD23 ' ND2' ' A' ' 68' ' ' ASN . 55.2 mt -54.94 -66.69 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.497 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 4.9 m -45.33 -51.75 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -46.23 -47.91 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.32 -58.33 3.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB1' ' CZ ' ' A' ' 57' ' ' TYR . . . -40.54 -46.69 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -56.06 -54.3 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.493 HD11 ' CE1' ' A' ' 76' ' ' PHE . 30.6 tp -65.36 -23.83 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.2 t-80 -80.29 -20.57 44.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.565 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 46.1 t60 -64.06 -46.88 82.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -82.99 -43.5 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -132.43 92.93 26.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.78 -6.99 19.94 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -96.8 -16.77 20.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.2 mt -68.28 -38.21 81.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.64 -177.31 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -114.57 27.36 9.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 22.7 t80 -53.73 -18.72 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -63.51 -25.03 68.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -134.31 31.3 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.6 mt -91.89 -174.77 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.4 m120 -172.07 159.8 4.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 3.4 2.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -80.01 -13.85 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -109.39 114.44 28.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 mt -97.2 -47.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -79.05 -48.62 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.24 -58.47 8.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.432 ' ND2' HD23 ' A' ' 41' ' ' LEU . 8.9 m-20 -42.86 -48.53 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 4.2 m-80 -65.11 -58.2 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -44.89 -45.33 10.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -49.38 -56.47 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.33 -63.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.508 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 22.8 m-85 -38.13 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ALA . 26.5 t0 -78.78 -44.36 23.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -73.75 -43.59 34.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CE1' HD11 ' A' ' 47' ' ' LEU . 21.4 m-85 -65.72 -48.37 72.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.04 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 m -58.07 -45.95 86.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.451 ' CG1' ' O ' ' A' ' 76' ' ' PHE . 16.0 pt -72.33 -35.0 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.68 34.62 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.545 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.0 mt -105.2 102.02 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -54.96 126.79 25.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 11.0 mtm105 -78.29 126.81 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 36.4 mt -108.52 -35.53 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -103.91 154.95 19.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -110.33 148.52 38.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.508 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.78 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.262 . . . . 0.0 112.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.5 t -57.95 -54.64 44.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' SER . 10.2 t0 -35.38 -43.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -54.76 -45.63 74.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 88' ' ' SER . 23.6 t -69.91 -47.41 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.7 mt -46.47 -55.87 6.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.3 pp -90.98 176.78 6.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.64 -66.45 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.463 ' CD1' ' CG2' ' A' ' 35' ' ' THR . 33.2 mm -117.61 132.25 23.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 178.07 4.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.622 2.214 . . . . 0.0 112.332 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.1 m-20 -93.51 101.53 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 97' ' ' ASP . 31.7 tttt -34.3 -51.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.49 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 103' ' ' THR . 21.7 m -41.42 -66.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' THR . 89.2 t -35.63 -55.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.4 mtp -60.22 -37.15 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 100' ' ' THR . 33.3 m -58.62 -47.03 85.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.404 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 26.0 t80 -65.87 -42.26 90.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.561 HD22 ' CH2' ' A' ' 37' ' ' TRP . 11.3 mt -57.01 -54.31 48.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -44.03 -38.38 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -60.1 -51.13 70.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 104' ' ' TYR . 5.0 mp -59.31 -56.69 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.553 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 25.7 ttt-85 -50.07 -39.15 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.59 -41.7 75.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -52.99 -50.84 63.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -78.39 -53.16 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.6 m -95.15 126.06 40.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.5 p -84.63 161.46 20.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -175.3 -93.92 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -6.69 19.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.236 . . . . 0.0 112.381 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.6 p -39.17 156.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.6 m -40.29 138.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.457 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -175.02 113.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.906 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t 59.16 43.74 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.73 -150.34 11.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -138.05 142.69 40.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -88.09 130.34 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.23 145.73 1.01 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.91 3.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.337 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -76.27 56.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 11' ' ' SER . . . -174.56 118.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ALA . 7.9 t -34.49 -47.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -46.01 -51.63 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.6 p -40.12 -48.59 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.42 -63.49 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 33' ' ' PHE . 5.4 tp -37.21 -35.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' TRP . 70.7 t -73.08 -54.45 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.459 ' CG ' ' HG3' ' A' ' 109' ' ' ARG . 23.4 t90 -35.17 -52.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 t -64.82 -63.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -48.95 -21.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.82 -62.37 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.558 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.1 m -64.42 -19.99 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.572 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 80.7 p -105.84 26.92 9.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -68.88 -46.33 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -94.62 45.54 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 11.5 m-85 -117.49 177.49 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -119.73 119.05 32.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.24 37.16 22.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.402 ' CG1' HD13 ' A' ' 30' ' ' ILE . 8.2 t -131.11 114.54 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.387 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -132.67 -34.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 30' ' ' ILE . 5.3 mp 60.64 50.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -69.67 -26.25 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -143.07 167.35 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.482 ' CE2' HD12 ' A' ' 15' ' ' LEU . 40.5 m-85 -112.11 36.02 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.9 p -130.66 -70.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.41 HG22 ' CD1' ' A' ' 95' ' ' ILE . 67.8 p -82.68 -43.43 16.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.204 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 t -45.24 -28.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 43.1 m95 -104.72 -27.05 12.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' TRP . 19.3 ttp85 -34.95 -50.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.465 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -63.5 -53.41 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.18 41.52 1.06 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -96.5 -52.08 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.36 . . . . 0.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.523 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 29.6 m -59.74 -33.08 71.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.546 ' CE1' HD22 ' A' ' 105' ' ' LEU . 12.9 m-85 -64.43 -44.5 90.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.21 -34.83 49.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -55.29 -45.15 76.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.1 mt -62.42 -66.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 tp -47.31 -31.73 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 56.9 t-80 -69.65 -41.09 76.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 17.1 t60 -47.59 -51.35 21.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -75.8 -46.81 28.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -140.33 105.0 6.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -44.13 2.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.3 -38.72 63.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 mt -48.67 -37.64 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -123.69 178.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.68 25.1 11.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.435 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 9.0 t80 -48.02 -26.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -35.05 70.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.2 p -123.21 33.05 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.0 mt -93.96 -175.08 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.2 m120 -173.87 160.07 3.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.483 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.46 -21.04 45.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.483 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 17.6 m-20 -102.0 114.98 29.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.454 ' CG2' HG21 ' A' ' 91' ' ' VAL . 88.1 mt -101.95 -44.03 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HD2' ' CB ' ' A' ' 88' ' ' SER . 20.4 ttpt -79.66 -44.57 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 68' ' ' ASN . 26.0 tt0 -64.52 -65.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLU . 15.9 m-20 -34.2 -58.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 4.1 m-80 -56.12 -49.09 74.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -54.22 -49.19 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -44.06 -47.3 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -61.47 -71.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.547 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 15.3 m-85 -32.73 -53.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -49.09 -46.21 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -78.56 -53.52 4.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.414 ' CD2' ' HB3' ' A' ' 72' ' ' ALA . 15.5 m-85 -49.12 -51.47 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.838 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.45 71.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t -44.7 -48.14 10.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.428 ' CD1' HD13 ' A' ' 81' ' ' ILE . 17.8 pt -73.06 -38.57 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.3 32.71 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.432 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.562 HG12 ' CD2' ' A' ' 111' ' ' HIS . 68.5 mt -102.03 101.65 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.7 m -51.28 125.18 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -84.36 114.78 22.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.6 mt -91.97 -46.92 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.4 tp -88.31 149.09 23.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -108.03 147.64 35.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.727 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.6 Cg_endo -69.79 -50.76 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.453 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . 90.8 p -59.37 -50.28 74.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -42.62 -47.17 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -49.26 -48.75 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 65' ' ' ILE . 48.4 t -66.8 -47.44 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.9 mt -49.4 -60.16 3.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 95' ' ' ILE . 4.4 pp -84.54 159.43 20.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.63 -59.84 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.41 ' CD1' HG22 ' A' ' 35' ' ' THR . 39.9 mm -119.48 123.93 28.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 176.92 6.14 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.2 m-20 -91.38 101.08 13.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' ASP . 4.4 ttpm? -36.72 -48.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.9 mt -54.58 -56.07 22.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.5 m -51.7 -60.9 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.8 t -49.83 -59.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.9 mtp -47.23 -45.16 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.1 m -55.44 -57.44 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -51.64 -59.05 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' A' ' 43' ' ' PHE . 13.0 mt -39.86 -58.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 105' ' ' LEU . 16.4 m-85 -37.07 -43.52 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.504 ' O ' ' CD2' ' A' ' 111' ' ' HIS . 18.4 mm100 -52.05 -58.67 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.8 mp -52.63 -55.03 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 5.6 ttt-85 -54.86 -33.67 62.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.04 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.562 ' CD2' HG12 ' A' ' 81' ' ' ILE . 44.4 m-70 -62.25 -51.26 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -63.27 -54.08 42.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.4 p -116.27 142.55 46.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.1 m -101.45 128.55 47.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.43 -95.96 1.29 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 124.76 11.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.344 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.6 m -53.68 -54.27 40.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.7 t -64.04 -53.1 55.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p 42.89 42.35 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p -83.36 -46.33 12.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.84 150.93 8.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 p -120.96 166.98 13.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.921 0.391 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -153.45 114.59 4.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.32 162.02 18.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 166.1 28.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.304 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -168.04 176.25 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.78 177.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' GLN . 11.2 t -43.37 -53.12 5.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.789 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' SER . 23.0 tp60 -34.36 -46.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -47.02 -56.06 7.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.5 -62.04 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD12 ' CE2' ' A' ' 33' ' ' PHE . 5.6 tp -39.49 -41.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' TRP . 59.8 t -67.11 -53.38 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.569 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 47.4 t90 -34.65 -52.85 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t -65.15 -63.89 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -43.28 -25.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -73.13 -61.1 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.564 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.8 m -66.48 -18.99 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.567 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 72.8 p -106.34 28.5 7.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -74.95 -43.37 54.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.413 ' ND2' ' H ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -92.39 36.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.567 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 17.8 m-85 -112.37 179.55 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -124.22 116.13 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.15 38.35 13.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG12 ' CB ' ' A' ' 22' ' ' THR . 10.1 t -133.03 96.98 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.957 0.408 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -117.7 -20.66 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.0 mp 50.31 53.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.432 HG21 ' ND2' ' A' ' 32' ' ' ASN . 5.2 t -63.5 -26.84 68.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' ND2' HG21 ' A' ' 31' ' ' THR . 10.9 m-80 -148.71 177.52 9.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.544 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 55.5 m-85 -114.99 34.52 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 p -127.84 -72.08 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' ARG . 76.3 p -78.83 -53.32 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' THR . 13.6 t -36.42 -34.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.558 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 40.1 m95 -99.01 -29.28 12.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 94' ' ' ALA . 23.4 ttt-85 -35.52 -44.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 p30 -70.42 -47.24 61.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 106.97 42.99 1.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.9 mt -96.87 -56.95 2.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.558 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 20.4 m -59.62 -32.54 70.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.3 -44.75 86.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.4 m -77.81 -34.1 52.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . . . -58.47 -53.25 60.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.473 HG23 ' CH2' ' A' ' 17' ' ' TRP . 50.4 mt -49.59 -61.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.406 HD22 ' CG1' ' A' ' 55' ' ' ILE . 31.3 tp -53.02 -32.38 46.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 60.1 t-80 -69.66 -39.0 77.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.564 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 32.0 t60 -47.08 -41.31 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -82.37 -43.88 16.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' CB ' HD12 ' A' ' 54' ' ' LEU . 10.1 tpt180 -136.19 104.85 9.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.692 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.543 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.8 -3.28 11.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -101.16 -39.72 7.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 51' ' ' ARG . 11.6 mt -41.86 -40.79 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.425 HD12 ' N ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -122.51 171.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -104.29 23.68 12.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.432 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 11.3 t80 -49.58 -22.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -58.32 -32.53 68.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -129.27 35.41 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 10.5 mt -93.97 -176.43 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -171.29 160.02 5.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 3.93 2.47 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.59 -19.16 50.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 20.9 m-20 -104.59 114.7 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.4 mt -98.99 -39.81 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -85.22 -50.45 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' HG2' ' CE ' ' A' ' 71' ' ' LYS . 15.3 tt0 -57.61 -57.87 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -45.84 -54.61 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.4 m-80 -59.02 -47.91 83.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' N ' ' HB3' ' A' ' 87' ' ' PRO . 35.0 tttm -48.92 -46.09 42.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.46 ' CE ' ' HG2' ' A' ' 67' ' ' GLU . 11.2 mttm -49.76 -62.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -44.47 -73.21 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' ALA . 17.1 m-85 -35.6 -44.56 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -62.86 -44.68 95.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.05 -57.07 4.97 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.404 ' CE1' HG22 ' A' ' 108' ' ' ILE . 38.7 m-85 -52.55 -42.97 64.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.28 69.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -45.74 -49.25 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.2 pt -70.03 -38.56 75.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.29 33.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 74.0 mt -103.27 99.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -47.89 132.96 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -84.56 110.08 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.88 -44.24 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.4 tp -96.81 154.35 17.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -112.02 150.9 43.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.418 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.73 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.3 p -64.35 -33.74 76.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -38.67 63.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.53 -36.98 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.0 t -72.22 -51.22 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.4 mt -41.83 -55.51 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 95' ' ' ILE . 4.3 pp -95.72 173.8 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.472 ' O ' ' CD ' ' A' ' 38' ' ' ARG . . . -90.75 -53.02 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' C ' HD12 ' A' ' 93' ' ' LEU . 15.9 mm -120.54 124.45 27.62 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.24 2.76 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -97.86 96.78 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' ASP . 5.1 ttpm? -34.38 -56.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.26 -60.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.9 m -56.94 -60.79 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.6 t -42.61 -61.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.8 mtp -50.78 -43.4 58.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 61.7 m -55.06 -47.02 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -60.65 -51.88 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.534 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 9.1 mt -45.23 -60.51 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.419 ' O ' ' CB ' ' A' ' 110' ' ' ALA . 24.8 m-85 -37.05 -41.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -55.98 -53.51 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.404 HG22 ' CE1' ' A' ' 76' ' ' PHE . 5.2 mp -63.15 -58.04 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -55.23 -33.6 63.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 106' ' ' TYR . . . -72.76 -41.1 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -57.26 -53.17 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -70.27 -49.44 49.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 t -114.42 111.6 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.7 m -69.06 174.66 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.49 -91.28 2.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 103.39 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.1 m -83.34 85.25 7.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.1 t 59.2 42.18 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.449 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -77.09 155.94 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 110.893 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 m -134.81 108.28 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.0 138.19 6.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -107.7 112.64 25.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -91.04 -52.79 4.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.18 158.19 9.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 101.73 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.46 ' ND2' ' HG2' ' A' ' 12' ' ' GLN . 4.5 t30 -81.36 -174.95 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' H ' ' ND2' ' A' ' 9' ' ' ASN . . . -89.36 -62.08 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' SER . 91.7 p -98.68 -74.94 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.46 ' HG2' ' ND2' ' A' ' 9' ' ' ASN . 16.3 pt20 -38.68 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.442 ' HB2' ' N ' ' A' ' 9' ' ' ASN . 12.7 t -47.27 -50.17 22.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.52 -59.32 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -50.93 -27.31 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 12' ' ' GLN . 90.4 t -87.02 -38.43 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.549 ' CZ3' HG21 ' A' ' 46' ' ' ILE . 90.0 t90 -60.27 -45.44 93.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 p -69.48 -42.96 74.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -67.99 -21.24 65.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -73.04 -55.65 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.559 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 m -67.78 -24.02 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.554 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 80.9 p -102.51 31.48 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -78.13 -38.26 44.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -102.99 38.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 11.4 m-85 -109.24 178.94 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -121.44 113.96 20.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.36 47.19 7.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.531 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG1' ' HB ' ' A' ' 22' ' ' THR . 58.7 t -131.0 91.67 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -120.75 87.53 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.458 HD11 ' CG1' ' A' ' 28' ' ' VAL . 5.3 mp -71.84 82.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.402 HG22 ' ND2' ' A' ' 32' ' ' ASN . 11.3 t -90.74 -27.45 18.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.402 ' ND2' HG22 ' A' ' 31' ' ' THR . 12.2 m-20 -141.11 177.81 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 32.4 m-85 -117.97 32.55 6.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.7 -72.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' ARG . 73.9 p -77.53 -50.21 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 m -38.23 -34.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.551 ' CZ2' HD11 ' A' ' 105' ' ' LEU . 25.4 m95 -100.96 -26.61 13.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' TRP . 32.5 ttt-85 -35.63 -48.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.479 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 p30 -65.95 -53.78 34.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.49 36.8 1.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 mt -87.7 -60.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.46 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 67.7 m -52.81 -37.89 60.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -57.75 -45.38 85.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.7 m -75.96 -41.88 50.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.557 ' HB1' ' CD2' ' A' ' 25' ' ' TYR . . . -57.19 -59.62 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.549 HG21 ' CZ3' ' A' ' 17' ' ' TRP . 86.2 mt -42.49 -54.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD22 ' CG1' ' A' ' 55' ' ' ILE . 32.9 tp -59.01 -37.11 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 23.5 t-80 -66.34 -30.84 71.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.559 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 61.9 t60 -56.02 -45.38 79.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -72.97 -51.2 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 2.3 mmp_? -139.0 105.1 7.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.512 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 1.93 4.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -107.99 36.74 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.9 mt -126.92 -41.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.427 ' CG1' HD22 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -117.95 171.05 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -106.61 25.33 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 10.7 t80 -50.61 -23.92 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -57.23 -28.8 63.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -131.25 35.79 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 12.1 mt -98.19 -178.33 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.402 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 4.8 m120 -167.72 160.27 9.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 4.19 2.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.55 -20.47 46.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 20.6 m-20 -102.27 115.04 29.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -101.0 -46.85 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -75.39 -45.08 41.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 68' ' ' ASN . 21.7 tt0 -64.87 -65.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' GLU . 31.1 m-20 -35.46 -58.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 5.1 m-80 -57.1 -51.59 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -49.77 -45.6 49.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -48.44 -60.96 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -48.64 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.463 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 16.7 m-85 -34.29 -46.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -57.73 -46.41 84.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.0 -56.35 4.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 17.9 m-85 -48.98 -43.58 40.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' CB ' ' HD2' ' A' ' 83' ' ' ARG . . . -70.35 -30.66 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -45.48 -49.09 13.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 80' ' ' GLY . 24.3 pt -71.23 -41.04 74.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.424 ' N ' HG13 ' A' ' 79' ' ' ILE . . . 144.8 35.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 30.2 mt -103.55 100.63 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.0 p -46.53 151.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 83' ' ' ARG . 2.5 mpp_? -97.21 103.17 15.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.32 -44.89 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 tp -102.1 151.2 22.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -109.28 150.43 41.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.673 0.749 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.463 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.76 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.0 p -56.11 -47.44 78.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -42.33 -53.22 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.6 mmt -48.89 -41.67 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -70.68 -47.55 63.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 56.8 mt -49.56 -59.34 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.41 HD11 ' C ' ' A' ' 93' ' ' LEU . 4.3 pp -88.69 168.16 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.28 -62.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.1 mm -116.34 127.71 26.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 176.7 6.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 98' ' ' LYS . 8.8 m-20 -89.68 101.59 14.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASP . 37.8 tttt -38.16 -53.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.0 -45.73 68.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.7 m -59.07 -59.87 4.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.7 t -50.07 -63.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.3 mtp -41.12 -47.33 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 96.5 m -54.96 -47.62 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -63.24 -49.48 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.551 HD11 ' CZ2' ' A' ' 37' ' ' TRP . 10.2 mt -52.11 -60.66 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 105' ' ' LEU . 10.7 m-85 -34.73 -45.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -52.35 -55.33 22.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.8 mp -59.49 -56.46 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.513 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -54.19 -34.36 60.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.91 -40.69 53.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -58.8 -55.12 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -62.36 -48.45 79.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 t -137.4 138.28 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.3 t -123.35 45.44 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.51 -153.86 24.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 141.7 46.0 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.238 . . . . 0.0 112.372 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.4 t -67.74 108.53 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -111.11 140.2 45.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -103.37 104.36 14.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.8 m -88.37 -58.7 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.1 42.7 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -114.27 82.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 m -109.61 143.78 38.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.46 168.22 32.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 165.39 31.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 m120 62.6 42.9 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.34 124.11 15.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.5 p -53.32 -48.85 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.438 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 9.3 tm0? -56.31 -53.07 61.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -53.18 -48.49 68.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.6 tp -62.18 -59.47 5.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD12 ' CZ ' ' A' ' 33' ' ' PHE . 8.0 tp -49.41 -41.12 38.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 12' ' ' GLN . 48.0 t -70.32 -46.85 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 53.9 t90 -40.01 -52.07 2.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 20' ' ' GLU . 41.8 t -64.25 -64.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -43.11 -24.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 18' ' ' CYS . 3.5 tt0 -73.14 -50.31 23.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.561 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 1.6 m -79.46 -12.25 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.564 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 68.9 p -122.22 22.95 10.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -47.46 -63.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.79 68.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.564 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 6.7 m-85 -115.68 166.55 11.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' GLY . 5.1 tpm_? -55.63 104.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . 36.81 82.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 22' ' ' THR . 95.6 t -135.02 86.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 111.117 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -109.35 101.53 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.457 HD13 ' CG1' ' A' ' 28' ' ' VAL . 5.2 mp -85.21 69.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.5 t -78.73 -26.0 44.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -144.28 -179.37 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 34.7 m-85 -114.36 29.69 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 p -131.71 -72.1 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.7 p -71.54 -41.61 68.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.37 -24.44 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CZ3' HD23 ' A' ' 105' ' ' LEU . 25.2 m95 -111.97 -23.62 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' TRP . 13.6 ttm180 -35.74 -47.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.489 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -68.09 -56.97 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.25 32.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.67 -67.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 46.1 m -47.89 -39.91 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CE1' ' CE2' ' A' ' 104' ' ' TYR . 10.7 m-85 -55.35 -44.9 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 m -76.99 -47.14 21.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.77 -55.41 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.3 mt -44.87 -56.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.5 tp -56.59 -31.67 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.548 ' CE1' ' HA ' ' A' ' 52' ' ' PRO . 15.5 t-80 -69.36 -41.02 77.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.521 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 25.5 t60 -47.77 -41.36 23.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 34.4 m-85 -76.49 -51.84 10.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 4.3 mmt180 -133.14 103.35 12.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.548 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.76 3.07 2.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.82 32.44 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 51' ' ' ARG . 15.6 mt -116.37 -39.7 3.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.32 175.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -107.55 23.78 13.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.443 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 13.0 t80 -49.55 -28.31 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -54.08 -29.64 45.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.4 t -128.92 36.33 4.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 12.8 mt -100.48 177.17 5.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.402 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 4.2 m120 -161.93 160.69 22.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 4.9 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.48 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.7 pp0? -80.38 -20.3 44.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.48 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 17.3 m-20 -100.57 115.36 29.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.422 ' CG2' HG23 ' A' ' 91' ' ' VAL . 32.7 mt -98.74 -52.55 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -74.21 -46.49 41.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.61 -65.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -39.22 -45.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.0 m-80 -66.02 -51.21 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -50.91 -52.89 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -41.96 -58.67 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -50.31 -68.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.473 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 17.9 m-85 -33.39 -54.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -48.53 -44.33 36.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.11 -53.17 4.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 22.3 m-85 -49.82 -51.49 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' CB ' ' HD2' ' A' ' 83' ' ' ARG . . . -65.99 -35.13 79.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -44.67 -50.62 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.429 ' CG1' ' O ' ' A' ' 76' ' ' PHE . 16.0 pt -68.95 -39.8 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.01 32.96 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.6 mt -106.84 98.0 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 111.117 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.3 m -42.58 157.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HD2' ' CB ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -96.9 92.3 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 mp -80.27 -43.97 20.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.3 tp -98.38 152.48 19.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.414 ' HB2' ' CG ' ' A' ' 89' ' ' ASP . 60.2 mm-40 -110.89 146.18 33.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.6 Cg_endo -69.79 -50.51 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 91' ' ' VAL . 85.2 p -58.01 -52.21 66.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.414 ' CG ' ' HB2' ' A' ' 86' ' ' GLU . 2.2 m-20 -37.03 -45.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -56.81 -42.24 79.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' SER . 64.3 t -74.37 -51.74 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 52.3 mt -40.11 -64.83 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 93' ' ' LEU . 1.8 pp -93.31 176.8 6.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.33 -61.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.5 mm -99.44 126.35 37.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.733 . . . . 0.0 111.179 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -176.44 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.31 94.76 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -42.09 -59.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.6 mt -47.2 -51.48 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.9 m -58.92 -55.74 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.0 t -49.68 -61.15 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.3 mtp -45.08 -48.07 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.2 m -59.05 -40.3 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.473 ' CE2' ' CE1' ' A' ' 43' ' ' PHE . 24.0 t80 -65.93 -49.88 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.569 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 22.4 mt -50.04 -58.67 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -38.04 -42.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -57.4 -52.52 65.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.405 HG21 ' CE1' ' A' ' 76' ' ' PHE . 5.2 mp -61.77 -57.67 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.03 -40.27 63.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.84 79.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -52.0 -55.51 20.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.626 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 81.4 m-85 -67.92 -43.91 78.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.5 p -69.86 167.65 16.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.2 p -107.1 -31.3 8.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.79 -149.02 22.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.44 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.8 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.9 p -69.77 126.0 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.3 t 60.61 41.8 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -119.23 172.07 7.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -72.01 -30.97 65.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.91 154.63 24.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -75.21 141.51 43.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 p -153.76 139.74 18.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.58 162.3 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 133.32 25.27 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -138.27 178.4 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' SER . . . -45.86 165.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' GLN . 2.8 m -37.49 -43.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' SER . 22.2 tt0 -34.51 -52.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -46.34 -58.63 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.5 tp -54.57 -57.33 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 tp -45.98 -35.37 4.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' TRP . 55.5 t -77.78 -45.91 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.569 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 81.3 t90 -37.72 -51.52 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 t -67.89 -45.24 75.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.61 -21.17 37.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -83.12 -63.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.506 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 3.1 m -54.6 -29.61 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.551 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 59.0 p -90.82 27.99 1.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -70.61 125.69 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 67.45 44.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 8.5 m-85 -104.0 140.87 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -39.65 -74.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.65 95.7 0.42 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.4 t -144.21 105.05 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -134.82 94.52 3.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.8 75.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -83.35 -22.03 32.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -148.99 -179.96 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.516 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 49.1 m-85 -121.1 31.17 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -127.35 -68.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.441 ' CG2' ' CD1' ' A' ' 95' ' ' ILE . 69.8 p -87.07 -30.65 20.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -55.16 -31.48 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CZ3' HD23 ' A' ' 105' ' ' LEU . 16.3 m95 -105.13 -17.08 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -41.93 -51.56 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 1.3 p30 -62.4 -56.16 20.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.75 29.38 2.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.25 -63.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.4 m -48.09 -41.75 27.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 22.4 m-85 -54.9 -46.79 74.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.2 m -75.08 -35.98 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.489 ' HB1' ' CD2' ' A' ' 25' ' ' TYR . . . -60.04 -49.71 76.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.532 HG21 ' CH2' ' A' ' 17' ' ' TRP . 35.9 mt -55.24 -61.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.6 tp -51.45 -39.95 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.477 ' CE1' ' CB ' ' A' ' 52' ' ' PRO . 29.9 t-80 -62.94 -34.13 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.506 ' CD2' ' HA ' ' A' ' 21' ' ' VAL . 25.3 t60 -54.04 -52.8 59.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -64.58 -46.7 81.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.3 tpp180 -143.66 105.0 4.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.477 ' CB ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.73 -0.19 6.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -108.3 28.77 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.0 mt -114.89 -38.66 3.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.434 HD12 ' N ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -120.37 175.42 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -107.34 24.15 13.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.43 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 11.2 t80 -50.15 -23.14 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -57.67 -31.25 66.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -129.29 34.39 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 11.3 mt -94.74 176.08 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -161.46 161.36 22.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.721 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 3.95 2.49 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.522 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.64 -22.83 43.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.522 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 16.3 m-20 -99.22 115.45 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.4 mt -103.02 -49.49 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -72.35 -42.44 65.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.3 tp10 -66.3 -64.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' GLU . 17.0 m-20 -34.55 -44.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 4.7 m-80 -70.76 -44.26 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' GLU . 17.1 tptm -53.62 -54.95 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HZ3' ' CG ' ' A' ' 67' ' ' GLU . 13.0 mtmm -44.96 -59.56 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -46.24 -72.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 72' ' ' ALA . 16.0 m-85 -34.02 -52.97 0.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.56 -44.56 46.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.78 -53.95 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.424 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 19.1 m-85 -49.64 -52.0 33.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.98 -22.31 65.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -53.96 -44.48 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 pt -76.06 -37.95 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 144.85 33.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.7 mt -105.51 97.57 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 111.119 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t -44.84 145.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -95.16 105.35 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.9 mt -86.01 -52.7 5.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.1 tp -87.32 154.72 20.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -110.23 148.26 37.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.668 0.747 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.422 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.8 -46.46 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 p -63.01 -45.83 90.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -43.08 -51.28 5.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.7 mmt -50.07 -32.93 16.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.4 t -85.25 -40.73 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.9 mt -52.52 -49.77 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.51 179.99 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.72 -61.53 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.441 ' CD1' ' CG2' ' A' ' 35' ' ' THR . 25.2 mm -115.94 128.06 26.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -178.62 2.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.4 m-20 -99.81 100.02 10.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' ASP . 14.6 ttmt -33.99 -57.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.6 mt -50.11 -45.08 52.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' ASP . 86.9 m -61.67 -51.61 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.2 -63.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 55.6 mtp -39.87 -49.62 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.8 m -52.77 -49.64 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -57.7 -46.07 84.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.556 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 11.5 mt -53.41 -59.8 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' LEU . 21.0 m-85 -36.18 -39.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -60.22 -44.69 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 105' ' ' LEU . 4.1 mp -72.4 -56.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 tmt_? -54.8 -32.8 60.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.54 -43.74 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -51.94 -56.63 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -70.67 -60.66 2.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 t -94.95 119.29 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -91.65 135.17 34.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -53.88 -94.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 142.85 48.65 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.691 2.26 . . . . 0.0 112.324 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.6 p -121.36 -22.47 5.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.2 p -107.59 102.25 11.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -89.73 82.94 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -42.05 -61.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.55 59.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 p -122.33 136.14 54.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -85.21 161.67 19.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.66 80.52 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.448 ' CD ' ' HA3' ' A' ' 115' ' ' GLY . 54.5 Cg_endo -69.7 -0.18 6.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.392 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' PRO . 4.4 m120 -34.48 95.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -161.64 129.65 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 p -43.5 -58.55 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -50.73 -53.79 28.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -48.91 -49.35 40.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.97 -59.92 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -47.16 -47.08 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.47 -44.08 98.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 88.8 t90 -52.81 -46.14 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 m -64.78 -52.81 54.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -59.33 -32.5 70.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -62.97 -69.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.511 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.5 m -51.08 -23.98 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.572 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 57.9 p -105.11 29.15 6.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 123.88 23.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 68.63 44.74 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 7.0 m-85 -102.45 174.87 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -75.42 90.41 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.85 67.05 2.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' A' ' 30' ' ' ILE . 89.4 t -126.19 83.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -114.05 88.3 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.424 HD11 ' CG1' ' A' ' 28' ' ' VAL . 5.2 mp -69.6 79.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.8 p -82.65 -33.12 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -135.16 -175.85 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.48 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 57.0 m-85 -122.99 26.93 7.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.469 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 0.8 OUTLIER -126.9 -56.14 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 38' ' ' ARG . 63.4 p -90.46 -53.09 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' THR . 2.2 m -37.42 -32.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 20.1 m95 -102.52 -25.93 13.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 35' ' ' THR . 15.3 ttp85 -34.18 -49.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 10.2 p-10 -67.21 -54.27 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.5 35.14 1.33 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' HG ' ' ND2' ' A' ' 39' ' ' ASN . 35.7 mt -85.56 -57.07 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.551 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 70.5 m -57.06 -41.05 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.19 -47.46 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.8 m -74.33 -39.21 62.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -58.05 -53.28 60.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.0 mt -50.59 -61.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 30.7 tp -52.54 -33.2 44.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.467 ' N ' HD11 ' A' ' 55' ' ' ILE . 18.3 t-80 -73.95 -35.88 64.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.511 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 28.6 t60 -51.6 -54.3 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 66.3 m-85 -66.1 -45.12 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -142.1 105.05 5.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.644 0.735 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -6.26 18.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.301 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -101.85 33.39 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.0 mt -120.45 -37.16 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.467 HD11 ' N ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -124.94 170.1 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.81 27.45 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.422 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 12.1 t80 -51.58 -27.51 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -56.63 -25.05 52.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -132.74 34.09 3.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 11.9 mt -97.81 179.54 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.403 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 4.5 m120 -164.98 160.5 14.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 4.51 2.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.502 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -80.05 -22.1 42.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.502 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 21.7 m-20 -100.55 115.13 29.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.0 mt -99.64 -46.85 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 24.0 ttpp -75.91 -46.91 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 68' ' ' ASN . 44.2 tt0 -62.1 -66.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 67' ' ' GLU . 24.8 m-20 -33.93 -59.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 15.3 m-80 -58.7 -56.57 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -43.57 -47.99 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -52.82 29.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.03 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 16.2 m-85 -34.95 -39.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -67.18 -47.04 72.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -69.76 -59.58 5.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 31.8 m-85 -50.06 -46.55 53.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.04 -24.97 64.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -55.15 -47.85 74.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.8 pt -70.0 -36.89 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.13 32.73 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.0 mt -100.89 95.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.9 m -44.45 109.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HA ' ' CE1' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -70.63 140.07 51.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.5 mt -122.46 -52.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -79.12 145.04 33.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -109.37 150.62 41.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.478 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 87.2 p -55.75 -60.8 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -37.4 -47.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.501 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 18.7 mmm -50.51 -43.21 55.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' SER . 90.5 t -72.08 -49.01 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.5 mt -44.26 -61.51 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.17 163.8 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.63 -56.64 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.8 mm -118.9 126.74 26.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.648 0.737 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.469 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.2 Cg_endo -69.71 -172.44 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' THR . 0.7 OUTLIER -100.27 100.15 10.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASP . 3.6 ttpm? -38.08 -48.6 1.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.13 -42.3 72.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 97' ' ' ASP . 13.5 m -64.58 -65.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.2 t -44.37 -60.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 20.4 mtp -43.84 -47.33 8.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.2 m -53.6 -54.17 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.428 ' CE1' ' HA ' ' A' ' 83' ' ' ARG . 13.4 t80 -53.5 -58.68 6.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.548 HD22 ' CH2' ' A' ' 37' ' ' TRP . 15.7 mt -38.5 -62.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 105' ' ' LEU . 20.6 m-85 -34.73 -39.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -60.42 -46.53 89.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 105' ' ' LEU . 5.1 mp -69.51 -58.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.49 -36.41 61.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 106' ' ' TYR . . . -68.78 -46.84 67.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -51.75 -60.96 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.417 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 63.3 m-85 -60.96 -49.98 75.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -116.14 97.91 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.45 ' CB ' ' HB2' ' A' ' 117' ' ' SER . 57.4 m -87.2 96.29 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.448 ' HA3' ' CD ' ' A' ' 8' ' ' PRO . . . -64.79 -62.04 5.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.5 Cg_endo -69.74 2.31 3.63 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 114' ' ' SER . 27.5 t -34.49 102.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.1 t -82.55 127.19 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -144.31 145.24 31.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -60.5 104.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.88 40.71 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 p -148.36 149.19 31.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -114.65 -62.81 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.82 -95.13 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -170.66 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.299 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.8 t30 49.32 46.3 23.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.0 122.83 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -71.74 -62.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -42.63 -43.07 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 m -43.0 -57.5 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 15' ' ' LEU . 12.8 tp -56.88 -64.05 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.0 tp -32.17 -65.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 19' ' ' LYS . 22.3 t -44.1 -59.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.524 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 92.2 t90 -32.24 -41.19 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.9 m -77.45 -47.81 18.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' VAL . 5.6 mtmp? -56.63 -42.06 78.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.97 -70.23 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.547 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.5 m -49.8 -25.47 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 75.6 p -105.98 29.24 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -77.39 -21.65 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -118.13 50.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.478 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 8.2 m-85 -122.3 -178.39 3.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.3 ttp85 -125.01 104.94 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.51 42.36 5.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' CG1' ' HB ' ' A' ' 22' ' ' THR . 94.0 t -126.47 86.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -116.13 97.15 5.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' A' ' 15' ' ' LEU . 4.2 mp -74.81 81.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 m -94.2 -27.38 16.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -148.34 152.91 37.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.564 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 40.2 m-85 -92.1 13.56 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.7 p -111.45 -64.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 37' ' ' TRP . 59.3 p -80.85 -52.8 7.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 32' ' ' ASN . 1.2 t -38.33 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 16.6 m95 -111.22 -19.82 12.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' THR . 9.0 ttp85 -35.74 -49.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.465 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -74.3 -42.97 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.22 33.41 2.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 mt -83.42 -68.56 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.8 m -47.14 -21.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 5.4 m-85 -77.87 -41.32 37.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.52 -31.06 37.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . . . -66.35 -44.18 83.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.9 mt -58.96 -60.07 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 45.5 tp -56.01 -30.75 62.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.9 t-80 -69.71 -42.17 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.547 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 46.5 t60 -47.19 -38.99 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -83.05 -50.16 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.4 tpt180 -134.81 102.84 11.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.74 2.37 3.58 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -104.84 -34.63 8.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -49.42 -34.56 16.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.39 177.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -110.63 27.7 9.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.545 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 16.0 t80 -51.84 -22.84 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -61.23 -28.82 69.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.8 t -128.55 31.03 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.9 mt -92.45 -174.88 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.4 m120 -173.62 159.88 3.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 3.32 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.79 -13.15 59.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 15.5 m-20 -110.49 114.38 27.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -98.44 -47.14 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -74.4 -52.34 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 70' ' ' LYS . 4.2 tp10 -56.25 -67.4 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLU . 16.4 m-20 -34.1 -46.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.3 m-80 -68.02 -44.79 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' GLU . 22.4 ttpp -61.26 -35.65 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -58.86 -52.16 66.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.48 -74.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.059 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' ALA . 5.0 m-85 -34.43 -51.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -48.95 -46.41 43.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.51 -53.15 4.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 47' ' ' LEU . 20.9 m-85 -49.89 -56.84 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.52 -11.9 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 1.8 t -68.77 -38.06 79.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 pt -82.54 -23.96 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.82 30.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.7 mt -105.21 97.4 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -50.85 120.6 4.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.4 ptt85 -78.78 125.62 29.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -105.48 -54.0 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.7 tp -73.86 156.14 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -114.6 143.02 29.15 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.681 0.753 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -44.39 2.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.3 m -65.32 -42.13 93.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.76 -44.43 38.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -52.33 -41.72 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.8 -50.14 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.3 mt -42.37 -67.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 93' ' ' LEU . 2.7 pp -84.34 -175.96 6.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.84 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.7 mm -111.0 129.98 23.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 179.14 3.9 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.53 103.46 15.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -42.25 -44.92 3.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.5 mt -53.68 -52.94 58.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.3 m -58.69 -67.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.4 t -39.3 -61.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.9 mtp -45.34 -44.5 11.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.9 m -57.35 -42.66 82.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -68.18 -49.93 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 37' ' ' TRP . 8.3 mt -49.1 -55.94 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -40.63 -43.13 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -54.92 -56.76 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.7 mp -52.51 -57.91 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 9.5 ttt85 -49.92 -39.75 41.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.52 -45.18 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -47.12 -48.59 23.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -86.57 -60.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.9 t -65.61 175.34 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.9 m -111.13 134.32 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -125.97 -165.07 11.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 141.92 46.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.4 p -131.28 139.05 49.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.0 m -51.87 115.94 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -110.08 140.55 44.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 m -56.8 165.57 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.7 -129.83 3.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -152.59 119.47 5.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.83 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -109.59 149.0 30.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.96 174.85 1.94 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.36 57.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' ALA . 16.3 t-20 -151.56 -179.87 7.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' ASN . . . -47.72 176.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.4 t -42.51 -37.25 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.455 ' C ' ' OE1' ' A' ' 12' ' ' GLN . 1.2 tm0? -42.26 -47.28 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 p -49.7 -39.16 35.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.2 tp -76.62 -62.22 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 6.2 tp -43.37 -33.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -80.99 -44.71 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -42.0 -49.78 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.4 t -69.15 -55.97 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 6.3 mtpm? -50.83 -20.0 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -81.01 -55.87 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.564 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.7 m -68.97 -13.59 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.514 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 81.3 p -108.59 23.9 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -65.69 125.18 24.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 62.22 50.54 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 5.3 m-85 -104.77 -176.79 3.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -82.53 96.32 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 58.98 10.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG1' ' HB ' ' A' ' 22' ' ' THR . 98.7 t -115.95 89.61 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.858 0.361 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' THR . 69.8 tttt -118.5 83.82 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.405 HD12 ' CG1' ' A' ' 28' ' ' VAL . 5.3 mp -60.49 75.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -85.5 -26.78 26.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.43 177.1 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 14.0 m-85 -112.26 8.84 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 73.0 p -111.99 -61.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 38' ' ' ARG . 40.6 p -78.15 -56.7 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' THR . 13.8 t -37.96 -31.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' A' ' 33' ' ' PHE . 18.1 m95 -107.41 -19.61 13.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 35' ' ' THR . 9.2 ttp85 -39.58 -47.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -73.95 -54.46 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.75 24.57 2.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.6 mt -75.91 -64.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.483 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 49.2 m -49.37 -39.34 31.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 12.1 m-85 -58.42 -55.85 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -64.97 -35.87 82.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . . . -58.15 -46.87 84.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.71 -65.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 59.1 tp -50.91 -26.52 5.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.54 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 24.5 t-80 -79.79 -26.8 40.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.564 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 60.7 t60 -56.66 -42.9 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -86.49 -51.61 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -120.16 90.95 45.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.712 . . . . 0.0 110.833 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.54 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.76 4.07 2.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 33.9 t0 -110.17 -22.5 11.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 51' ' ' ARG . 7.5 mt -60.23 -42.89 96.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -116.43 -179.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -112.99 30.94 6.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 45' ' ' ALA . 21.3 t80 -55.69 -19.81 12.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -69.09 -21.6 64.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -131.5 21.6 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mt -83.57 -174.9 5.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -171.59 159.92 4.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.42 2.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.389 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.409 ' C ' ' CD ' ' A' ' 63' ' ' GLN . 1.7 pp0? -80.78 -9.27 59.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 11.9 m-20 -114.88 113.76 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.42 -42.68 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 91' ' ' VAL . 25.9 ttmt -81.02 -42.25 21.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 68' ' ' ASN . 13.1 tt0 -66.82 -64.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 67' ' ' GLU . 32.8 m-20 -35.13 -52.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 18.1 m-80 -63.17 -56.21 18.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -46.18 -42.75 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 70' ' ' LYS . 36.7 mttt -54.11 -42.7 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.87 -59.31 3.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.431 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 8.4 m-85 -46.55 -23.9 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.87 -39.45 51.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.33 -45.45 6.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CE1' HG22 ' A' ' 108' ' ' ILE . 37.9 m-85 -65.48 -44.47 87.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 73' ' ' TYR . . . -71.12 -17.59 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.2 t -68.37 -46.95 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.5 pt -68.95 -35.09 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.35 37.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 62.0 mt -106.73 93.5 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.2 m -38.81 139.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -85.12 126.11 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 44.9 mt -113.08 -51.32 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.1 tp -89.87 154.15 20.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -111.25 146.5 34.7 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.693 0.758 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.643 2.229 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 m -61.0 -45.9 92.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -43.0 -52.17 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.7 mmt -49.49 -39.1 32.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 66' ' ' LYS . 59.1 t -70.5 -46.89 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.6 mt -53.28 -58.3 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.1 pp -87.38 155.42 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.36 -69.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.8 mm -105.74 123.58 38.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.679 0.752 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.8 Cg_endo -69.74 156.4 63.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.88 108.59 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -45.44 -51.86 10.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.0 mt -47.41 -57.15 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.5 m -51.49 -71.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.5 t -38.03 -57.61 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.4 mtp -49.26 -43.57 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.2 m -57.56 -39.63 77.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.414 ' CE2' HD12 ' A' ' 108' ' ' ILE . 31.8 t80 -73.17 -43.68 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.402 HD23 ' CH2' ' A' ' 37' ' ' TRP . 15.2 mt -54.65 -51.13 66.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -47.31 -30.21 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -69.04 -59.37 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.451 HG22 ' CE1' ' A' ' 76' ' ' PHE . 4.7 mp -52.11 -47.1 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -62.63 -34.75 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.89 -51.5 25.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -46.09 -47.35 17.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -76.04 -57.75 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 t -114.76 118.82 34.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.3 m -97.73 174.74 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.27 -156.52 1.2 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.421 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 140.65 43.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 55.5 m -71.47 164.52 25.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.4 t -140.09 144.39 36.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -141.11 125.51 17.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m 46.97 43.25 13.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.88 166.78 26.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p -146.56 121.71 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m -66.3 96.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.53 119.83 4.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 10' ' ' ALA . 53.8 Cg_endo -69.73 2.53 3.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.9 82.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -171.63 168.31 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.3 m -72.83 -53.16 12.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -48.02 -48.09 33.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -40.56 -60.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 14.0 tp -56.34 -47.87 77.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.7 tp -51.24 -38.66 53.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.2 t -75.28 -50.28 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.507 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 87.2 t90 -39.09 -47.46 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 m -64.72 -71.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -38.81 -31.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -64.94 -54.79 25.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.556 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.2 m -66.59 -22.67 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.434 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 61.0 p -112.91 23.78 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -68.93 -29.01 67.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -107.44 43.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.499 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 6.9 m-85 -117.76 174.92 5.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -118.32 117.65 29.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.37 26.35 30.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.472 ' CG1' HD13 ' A' ' 30' ' ' ILE . 15.9 t -112.34 103.42 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.377 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -135.01 72.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.472 HD13 ' CG1' ' A' ' 28' ' ' VAL . 4.8 mp -60.16 76.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' LYS . 7.0 t -87.44 -19.97 27.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -141.41 -177.94 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.429 ' CZ ' HD21 ' A' ' 14' ' ' LEU . 15.9 m-85 -125.4 19.86 8.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.4 -62.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.0 p -88.03 -12.97 42.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 t -74.21 -23.47 59.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CZ2' HD13 ' A' ' 105' ' ' LEU . 6.9 m95 -116.9 -8.47 11.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.402 ' CZ ' HD13 ' A' ' 65' ' ' ILE . 22.9 ttt-85 -44.23 -39.08 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -78.98 -45.92 19.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.76 24.24 5.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.81 -71.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.332 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.481 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.0 m -42.78 -46.36 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -52.49 -46.42 66.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.7 m -74.77 -29.78 61.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.499 ' HB1' ' CD2' ' A' ' 25' ' ' TYR . . . -68.37 -43.73 76.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mt -58.28 -56.47 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.98 -27.27 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -78.57 -18.14 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.556 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 76.0 t60 -68.76 -50.4 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.478 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 28.5 m-85 -69.17 -52.05 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -132.94 103.8 12.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 3.04 2.98 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -112.9 27.71 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 mt -110.84 -41.15 4.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.51 -177.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -115.49 26.56 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 22.9 t80 -50.34 -19.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -63.73 -33.71 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.8 p -121.98 28.25 7.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.4 mt -91.02 -174.72 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.1 m120 -173.5 159.99 3.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.744 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.48 2.74 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.225 . . . . 0.0 112.341 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.444 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.77 -14.28 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 16.4 m-20 -110.49 114.0 27.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.402 HD13 ' CZ ' ' A' ' 38' ' ' ARG . 82.3 mt -99.46 -39.51 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -78.86 -49.29 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 68' ' ' ASN . 10.0 tt0 -60.77 -69.54 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.478 ' C ' ' O ' ' A' ' 67' ' ' GLU . 20.9 m-20 -32.15 -54.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.9 m-80 -60.96 -51.82 67.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -51.25 -52.07 48.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -44.18 -51.56 8.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -57.04 -70.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 72' ' ' ALA . 11.2 m-85 -34.49 -40.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.34 -47.38 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -66.48 -55.05 19.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.486 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -56.78 -50.56 71.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.5 -5.63 8.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -73.45 -20.15 60.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 pt -105.8 -23.16 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.184 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.81 -5.8 2.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.2 mt -71.04 92.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.107 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.0 m -55.15 127.87 31.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -74.84 123.11 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 84' ' ' LEU . 7.8 mp -98.08 -47.94 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 HD22 ' CE ' ' A' ' 90' ' ' MET . 9.5 tp -85.57 160.34 19.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -113.85 147.78 38.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.15 0.97 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.5 p -65.32 -46.52 79.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.42 -48.85 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.465 ' CE ' HD22 ' A' ' 85' ' ' LEU . 3.1 mmt -55.75 -36.83 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.9 t -72.07 -41.46 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.91 -65.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.415 HD11 ' C ' ' A' ' 95' ' ' ILE . 4.4 pp -81.32 156.79 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.49 -57.84 3.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.415 ' C ' HD11 ' A' ' 93' ' ' LEU . 2.3 mm -115.75 124.07 30.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.63 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.8 m-20 -110.92 101.04 9.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' ASP . 12.5 ttpt -36.95 -52.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 mt -50.3 -50.28 51.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.3 m -57.73 -70.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.4 t -41.34 -60.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.1 mtp -42.68 -49.2 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -52.63 -56.47 15.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -50.48 -47.36 57.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.546 HD13 ' CZ2' ' A' ' 37' ' ' TRP . 15.0 mt -53.36 -59.54 4.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 105' ' ' LEU . 11.7 m-85 -37.54 -32.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' LEU . 24.5 mm-40 -68.7 -44.15 74.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' A' ' 105' ' ' LEU . 3.8 mp -68.31 -54.25 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.507 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 8.8 ttt-85 -55.39 -40.76 71.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.57 80.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -51.04 -42.63 60.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.478 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 70.1 m-85 -85.57 -64.19 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.0 t -110.8 117.19 32.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.4 m -111.58 98.16 7.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 40.76 -158.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 91.44 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' SER . 29.7 t -156.54 157.57 35.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' SER . 3.0 m -37.29 150.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -161.01 157.81 26.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.82 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p 42.4 42.25 2.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.74 176.59 19.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 m -96.06 157.49 15.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -108.26 153.58 23.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.38 163.29 10.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 9' ' ' ASN . 53.5 Cg_endo -69.8 -30.55 21.91 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' PRO . 17.9 m-80 -34.46 -60.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.94 154.75 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.5 m -90.26 -46.4 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -37.72 -40.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.8 p -42.17 -57.3 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 45.3 tp -57.55 -63.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 tp -40.4 -31.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' TRP . 59.6 t -80.24 -50.67 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' VAL . 76.4 t90 -35.55 -50.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.22 -67.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.472 ' CG ' HD12 ' A' ' 30' ' ' ILE . 23.9 mtpp -42.0 -27.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.84 -56.38 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.422 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.9 m -67.04 -16.47 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.56 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 72.5 p -107.2 25.32 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -68.49 -47.14 67.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -94.41 44.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 14.4 m-85 -118.3 168.56 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -114.11 129.11 56.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.89 48.18 74.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.2 t -131.8 107.16 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.88 127.8 31.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.472 HD12 ' CG ' ' A' ' 19' ' ' LYS . 5.3 mp -113.05 86.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.5 t -93.86 -30.79 14.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.447 ' N ' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -148.7 145.94 27.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.505 ' CZ ' HD21 ' A' ' 14' ' ' LEU . 38.2 m-85 -80.37 39.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 32.0 p -128.84 -68.61 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -86.67 -38.11 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 48.9 m -46.33 -28.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CH2' HD22 ' A' ' 105' ' ' LEU . 14.3 m95 -111.11 -22.19 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 94' ' ' ALA . 5.5 ttp180 -35.32 -57.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.496 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 8.8 p-10 -59.95 -55.56 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.42 -7.55 9.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.11 -55.04 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -54.59 -46.63 73.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 9.5 m-85 -53.13 -49.25 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 70.0 m -67.53 -44.7 77.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 25' ' ' TYR . . . -48.98 -54.46 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.0 mt -51.54 -60.45 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.1 tp -57.83 -24.41 57.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' A' ' 57' ' ' TYR . 47.9 t-80 -77.22 -33.55 56.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.447 ' CA ' ' OH ' ' A' ' 25' ' ' TYR . 11.9 t60 -59.52 -47.32 85.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CD2' ' CE2' ' A' ' 112' ' ' PHE . 2.0 m-85 -71.15 -38.71 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 6.0 mmt180 -144.95 105.38 4.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.858 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.6 5.42 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.302 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -108.4 -31.48 7.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 51' ' ' ARG . 12.8 mt -47.73 -40.67 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.46 177.08 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -108.21 30.12 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.564 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 36.4 t80 -53.92 -21.9 8.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -62.74 -24.23 67.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -130.94 28.72 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.1 mt -92.95 -174.84 3.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.9 m120 -172.1 159.62 4.39 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 3.17 2.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.93 -10.53 59.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.427 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 16.0 m-20 -114.6 113.55 24.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.1 mt -95.31 -52.4 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 15.4 ttpp -68.5 -55.4 11.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 3.0 tp10 -52.45 -67.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' GLU . 54.2 m-20 -35.33 -40.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.4 m-80 -75.43 -47.75 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' GLU . 18.4 ttpt -56.14 -40.96 74.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -53.89 -48.73 69.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -63.2 -63.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.442 ' CZ ' ' O ' ' A' ' 85' ' ' LEU . 22.6 m-85 -39.09 -35.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.33 -38.98 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -72.64 -60.69 3.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.442 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 46.3 m-85 -50.95 -49.79 59.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.08 -27.18 68.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 t -48.81 -32.85 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 76' ' ' PHE . 8.7 pt -93.8 -31.1 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.15 -23.69 0.59 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.4 mt -57.37 90.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.3 m -47.04 171.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.45 106.16 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.25 -36.38 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.442 ' O ' ' CZ ' ' A' ' 73' ' ' TYR . 15.7 tp -105.07 140.44 38.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -99.21 148.32 34.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.409 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.77 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.469 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 90.7 p -53.63 -55.44 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -38.59 -47.98 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.9 mmt -50.78 -45.54 59.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.69 -46.89 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.2 mt -55.38 -69.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.96 147.2 48.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.422 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -69.31 -48.03 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.2 mm -128.42 123.35 22.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.488 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.7 Cg_endo -69.76 151.01 68.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.317 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.79 109.97 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -49.16 -44.69 43.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.37 -51.88 66.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.5 m -57.51 -55.59 32.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 87.9 t -53.27 -61.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.479 ' HE2' ' CD2' ' A' ' 33' ' ' PHE . 10.4 mtp -46.57 -41.7 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.7 m -56.78 -54.33 47.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -53.94 -58.85 5.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.569 HD22 ' CH2' ' A' ' 37' ' ' TRP . 15.1 mt -42.72 -57.31 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' LEU . 19.1 m-85 -36.84 -34.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 105' ' ' LEU . 65.8 mm-40 -65.75 -56.59 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 mp -57.56 -62.46 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.417 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 22.9 ttt180 -47.87 -36.06 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.14 -31.77 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -67.4 -48.91 65.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.701 ' CE2' ' CD2' ' A' ' 50' ' ' PHE . 36.6 m-85 -79.72 -42.31 24.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -130.77 103.0 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.6 p -100.52 140.6 34.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.39 -179.25 21.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 101.1 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 0.0 112.388 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.7 m -129.84 176.5 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -157.1 151.73 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.2 tm0? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' OE1' ' A' ' 12' ' ' GLN . 9.3 t -43.81 -48.83 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' VAL . 32.0 tp -65.72 -68.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' CD1' HG22 ' A' ' 30' ' ' ILE . 4.9 tp -37.57 -30.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 12' ' ' GLN . 89.5 t -81.22 -49.38 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.402 ' O ' HG13 ' A' ' 21' ' ' VAL . 83.1 t90 -48.3 -44.31 33.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' SG ' HG21 ' A' ' 30' ' ' ILE . 8.8 p -71.28 -45.52 62.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG3' HD13 ' A' ' 30' ' ' ILE . 39.1 mtpt -65.24 -22.33 66.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -75.27 -61.77 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.481 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.4 m -58.36 -18.9 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.777 ' HB ' HG11 ' A' ' 28' ' ' VAL . 77.9 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.777 HG11 ' HB ' ' A' ' 22' ' ' THR . 56.2 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 31' ' ' THR . 19.5 tttp -121.51 86.84 2.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.1 mp -64.96 73.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' LYS . 32.8 p -79.98 -38.79 31.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.6 OUTLIER -136.59 165.49 25.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 34.1 m-85 -101.88 6.92 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.424 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 25.3 p -107.32 -60.81 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 38' ' ' ARG . 22.2 p -80.94 -54.06 5.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' ASN . 1.8 t -37.34 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.756 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 16.0 m95 -106.7 -21.51 13.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 65' ' ' ILE . 27.9 ttp180 -37.53 -49.09 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 p30 -73.57 -51.33 17.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.37 34.48 1.1 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 41' ' ' LEU . 14.6 mt -81.8 -61.7 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.518 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 50.7 m -53.34 -33.89 55.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -62.06 -43.09 99.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.3 m -78.85 -34.37 45.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -61.24 -47.24 86.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.62 -59.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 55' ' ' ILE . 35.7 tp -54.81 -28.75 51.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 53.9 t-80 -73.93 -29.69 62.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.481 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 25.1 t60 -59.17 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -75.47 -52.62 10.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HB2' HD12 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -127.68 88.1 54.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.583 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -5.05 15.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.226 . . . . 0.0 112.382 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.52 17.33 23.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -104.12 -35.53 8.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.681 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -118.88 -179.11 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.681 ' H ' HG22 ' A' ' 55' ' ' ILE . 4.3 m-20 -111.83 25.43 11.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 23.2 t80 -50.13 -20.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -60.55 -32.47 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -129.22 34.0 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.7 mt -91.81 -175.06 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.7 m120 -173.35 159.71 3.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 3.26 2.87 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.623 2.215 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.45 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.6 pp0? -80.37 -7.72 59.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 14.9 m-20 -117.48 113.59 22.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 38' ' ' ARG . 70.8 mt -96.65 -48.13 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -69.66 -56.12 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' ASN . 2.3 tp10 -54.08 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' GLU . 73.3 m-20 -34.35 -41.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 2.4 m-80 -73.08 -52.79 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -52.32 -48.34 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HE2' HD21 ' A' ' 60' ' ' LEU . 20.1 mtpp -50.26 -45.56 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.98 -67.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.491 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 8.4 m-85 -43.23 -32.17 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -68.02 -42.7 80.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 78' ' ' SER . . . -79.95 -54.93 3.7 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -52.13 -53.64 40.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -65.99 -8.06 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 2.5 t -72.67 -35.79 67.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.681 HD12 ' CE1' ' A' ' 111' ' ' HIS . 11.2 pt -84.42 -23.74 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.48 27.88 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.641 ' CD1' HD11 ' A' ' 79' ' ' ILE . 96.4 mt -99.6 95.91 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.6 m -44.19 138.87 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.06 128.41 35.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 104' ' ' TYR . 43.4 mt -113.2 -40.54 3.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 tp -96.54 150.97 20.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -110.85 146.07 33.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.14 2.79 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 p -61.73 -53.04 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.735 ' HA ' HD12 ' A' ' 92' ' ' LEU . 19.2 m-20 -37.84 -55.78 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mmt -42.56 -40.74 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 t -79.5 -41.91 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 89' ' ' ASP . 38.3 mt -53.08 -27.48 20.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.31 -174.9 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.43 -66.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.109 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.2 mm -107.1 128.06 26.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.424 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.0 Cg_endo -69.76 -178.53 2.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -92.51 107.31 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -48.32 -43.74 33.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.12 -48.89 79.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.7 m -62.28 -62.56 1.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.3 t -42.67 -62.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.6 mtp -44.56 -47.15 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.8 m -52.27 -53.73 40.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.615 ' O ' HD12 ' A' ' 108' ' ' ILE . 25.1 t80 -59.28 -46.11 89.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.756 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 13.7 mt -52.36 -56.87 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -41.38 -43.1 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -53.78 -60.18 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.799 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.1 mp -50.82 -55.83 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 -54.4 -34.05 60.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.37 64.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.681 ' CE1' HD12 ' A' ' 79' ' ' ILE . 20.4 t-80 -49.34 -62.18 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.911 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.882 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.6 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.7 p -63.9 -40.54 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 105' ' ' LEU . 14.3 tp -57.07 -61.36 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 3.5 tp -53.9 -20.96 6.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 12' ' ' GLN . 49.7 t -90.91 -32.0 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.527 ' O ' HG13 ' A' ' 21' ' ' VAL . 78.7 t90 -65.27 -45.23 85.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.625 ' SG ' HG21 ' A' ' 30' ' ' ILE . 8.5 p -72.06 -31.52 66.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 19.5 mtpt -80.64 -30.01 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -69.23 -49.83 52.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.557 HG23 HG23 ' A' ' 22' ' ' THR . 4.5 m -67.94 -25.35 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.67 ' CB ' HG11 ' A' ' 28' ' ' VAL . 38.1 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.67 HG11 ' CB ' ' A' ' 22' ' ' THR . 61.9 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.884 0.374 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -119.58 85.8 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.625 HG21 ' SG ' ' A' ' 18' ' ' CYS . 5.3 mp -68.84 74.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -81.59 -30.66 32.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -137.57 -179.51 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.512 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 27.5 m-85 -117.51 24.88 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 35.0 p -124.7 -71.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.662 ' CG2' HD12 ' A' ' 95' ' ' ILE . 77.2 p -75.12 -47.73 27.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 t -44.71 -22.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.68 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 55.5 m95 -110.83 -25.08 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -37.85 -48.66 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -67.04 -46.24 75.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 105.67 29.4 5.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.75 -61.29 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.565 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 74.1 m -50.92 -32.61 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -64.32 -46.2 84.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.0 m -75.01 -37.02 61.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.705 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -60.47 -47.33 86.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 42' ' ' SER . 21.6 mt -57.74 -59.47 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.632 HD21 ' HA3' ' A' ' 75' ' ' GLY . 27.7 tp -57.7 -25.79 60.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 65.1 t-80 -81.64 -21.14 38.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -66.21 -59.33 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.441 ' CE2' ' CD2' ' A' ' 112' ' ' PHE . 19.2 m-85 -72.1 -42.04 66.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tpm_? -134.15 83.51 44.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.511 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.78 -0.81 7.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -100.74 14.35 31.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.433 ' HG ' ' CG ' ' A' ' 51' ' ' ARG . 32.9 mt -106.1 -27.42 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.721 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -127.7 -176.11 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.721 ' H ' HG22 ' A' ' 55' ' ' ILE . 22.8 t70 -117.33 26.68 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.705 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 13.7 t80 -51.08 -20.01 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -61.58 -31.02 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.4 t -130.63 33.95 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.875 HD11 ' HE3' ' A' ' 71' ' ' LYS . 10.3 mt -91.34 -177.69 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -166.53 160.05 11.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 3.28 2.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 63' ' ' GLN . 1.8 pp0? -80.25 -11.75 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -112.04 113.49 25.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.0 mt -102.14 -54.47 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HB2' HG21 ' A' ' 91' ' ' VAL . 1.1 ttmp? -71.86 -33.98 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HG2' ' HZ3' ' A' ' 71' ' ' LYS . 15.2 tt0 -73.43 -61.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.426 ' HA ' ' NZ ' ' A' ' 71' ' ' LYS . 35.5 m-20 -40.5 -51.05 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.575 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.7 m-80 -61.39 -57.95 10.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -43.02 -46.82 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.875 ' HE3' HD11 ' A' ' 60' ' ' LEU . 28.6 mtmm -51.78 -57.79 8.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -51.8 -63.87 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 13.5 m-85 -38.22 -29.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' ALA . 7.9 t70 -77.16 -45.15 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.632 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -71.79 -39.1 60.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 27.5 m-85 -74.62 -46.03 41.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -68.61 -23.4 64.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -58.68 -44.18 90.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 81' ' ' ILE . 11.2 pt -72.93 -35.53 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.29 40.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.697 ' CD1' HD11 ' A' ' 79' ' ' ILE . 64.5 mt -111.23 94.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ILE . 24.8 m -37.38 135.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -86.8 104.6 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 104' ' ' TYR . 59.8 mt -85.35 -53.73 5.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.62 HD22 HG22 ' A' ' 101' ' ' VAL . 11.0 tp -83.94 147.76 27.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -109.15 148.47 38.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.77 -46.66 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.0 t -63.99 -60.33 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -34.44 -46.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.497 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 5.8 mmm -51.51 -46.32 63.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.488 HG21 ' HB2' ' A' ' 66' ' ' LYS . 25.9 t -67.63 -46.75 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 89' ' ' ASP . 74.8 mt -48.01 -63.96 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.476 ' C ' HD12 ' A' ' 93' ' ' LEU . 4.7 pp -79.75 174.83 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.33 -63.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.662 HD12 ' CG2' ' A' ' 35' ' ' THR . 43.7 mm -114.53 128.78 25.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.4 Cg_endo -69.73 152.23 69.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.381 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.35 99.93 1.28 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.415 ' HB2' ' CG2' ' A' ' 34' ' ' THR . 26.1 ttpt -39.28 -47.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 74.2 mt -51.13 -51.11 56.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 101' ' ' VAL . 27.5 m -58.6 -72.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.62 HG22 HD22 ' A' ' 85' ' ' LEU . 95.4 t -36.75 -58.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.9 mtp -46.26 -49.1 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.3 m -54.21 -33.65 58.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 108' ' ' ILE . 27.1 t80 -76.56 -44.45 34.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.68 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 16.6 mt -53.74 -51.29 63.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -47.17 -36.99 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -61.92 -61.37 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.795 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.1 mp -53.47 -57.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.413 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -53.47 -34.75 59.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.15 -56.1 10.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -56.87 -52.16 66.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.441 ' CD2' ' CE2' ' A' ' 50' ' ' PHE . 10.3 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 m -45.27 -37.95 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.9 tp -60.96 -66.91 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -42.15 -42.69 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.79 -48.86 68.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.486 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 86.6 t90 -45.47 -48.25 13.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.514 ' O ' HG22 ' A' ' 21' ' ' VAL . 7.4 m -64.74 -67.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -43.76 -24.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.35 -57.68 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.661 HG23 HG23 ' A' ' 22' ' ' THR . 6.3 m -60.82 -25.33 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.786 ' HB ' HG11 ' A' ' 28' ' ' VAL . 65.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.786 HG11 ' HB ' ' A' ' 22' ' ' THR . 57.7 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.877 0.37 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' CG ' HG23 ' A' ' 31' ' ' THR . 2.7 tppp? -121.71 108.43 13.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mp -93.25 75.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.481 HG23 ' CG ' ' A' ' 29' ' ' LYS . 3.3 p -79.42 -29.41 41.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -139.5 179.64 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 35.3 m-85 -118.4 23.12 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 96' ' ' PRO . 23.5 p -117.44 -73.31 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.3 p -80.66 -40.26 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 t -45.72 -26.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.748 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 28.4 m95 -110.35 -21.01 12.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.49 ' NH1' HD13 ' A' ' 65' ' ' ILE . 15.2 ttt-85 -39.82 -44.93 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -68.99 -52.39 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.1 30.65 2.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 mt -81.67 -66.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.438 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 53.2 m -46.52 -39.96 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 15.1 m-85 -56.82 -56.08 26.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.6 m -65.29 -37.32 86.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -60.78 -47.2 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.556 HG12 HG21 ' A' ' 21' ' ' VAL . 62.6 mt -55.93 -59.41 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.499 ' HG ' HD11 ' A' ' 55' ' ' ILE . 40.4 tp -53.67 -31.07 46.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 33.9 t-80 -74.53 -34.03 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 32.6 t60 -53.84 -47.71 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -76.89 -44.53 31.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.821 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.9 mmt180 -133.12 96.95 17.02 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.606 0.717 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 3.53 2.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -120.87 28.36 7.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.821 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -109.98 -37.21 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.728 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -122.3 -177.18 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' ILE . 27.7 m-20 -113.86 29.61 7.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 20.1 t80 -54.32 -26.13 27.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -61.77 -20.66 63.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -132.09 26.61 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.9 mt -92.47 -175.15 3.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 41.2 m-20 -171.49 159.62 4.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 2.97 3.1 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.84 -8.33 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.42 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 10.5 m-20 -116.57 112.68 21.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.49 HD13 ' NH1' ' A' ' 38' ' ' ARG . 14.3 mt -95.8 -48.3 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.593 ' HB2' HG21 ' A' ' 91' ' ' VAL . 1.3 ttmp? -75.52 -49.86 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' ASN . 11.5 tt0 -58.92 -65.06 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' GLU . 29.8 m-20 -34.93 -56.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.498 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 17.1 m-80 -59.89 -48.24 82.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -52.41 -44.84 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -47.42 -55.59 8.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -58.13 -65.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 19.6 m-85 -34.63 -48.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -57.82 -45.86 85.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -73.49 -55.93 5.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.555 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 18.8 m-85 -50.27 -52.15 38.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.84 -7.54 28.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 4.0 t -74.31 -38.14 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.446 HD12 ' NE2' ' A' ' 111' ' ' HIS . 6.2 pt -83.39 -29.27 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.06 32.17 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.3 mt -105.92 102.08 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.147 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.2 m -56.68 111.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -67.8 102.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 104' ' ' TYR . 62.5 mt -78.24 -48.41 15.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.44 HD21 ' CE ' ' A' ' 90' ' ' MET . 18.1 tp -83.31 154.8 23.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -112.79 144.7 31.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.711 0.767 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.1 Cg_endo -69.81 -46.44 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.298 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.3 m -60.09 -48.01 83.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -43.62 -49.98 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.44 ' CE ' HD21 ' A' ' 85' ' ' LEU . 3.7 mmt -46.95 -38.22 10.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.593 HG21 ' HB2' ' A' ' 66' ' ' LYS . 33.6 t -79.83 -45.9 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.5 mt -48.86 -60.48 2.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.2 pp -88.39 -178.78 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.429 ' N ' HD12 ' A' ' 93' ' ' LEU . . . -96.42 -65.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.463 ' O ' HD13 ' A' ' 93' ' ' LEU . 36.4 mm -109.38 125.07 32.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.401 ' HG3' ' O ' ' A' ' 34' ' ' THR . 53.7 Cg_endo -69.81 159.08 54.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.375 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LYS . 0.7 OUTLIER -79.99 98.45 7.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 97' ' ' ASP . 23.0 ttpt -35.62 -54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.4 mt -44.56 -48.3 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.0 m -63.4 -62.0 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.9 t -47.79 -61.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 24.9 mtp -42.56 -47.34 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.6 m -54.47 -54.43 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.512 ' HA ' HD12 ' A' ' 84' ' ' LEU . 39.5 t80 -53.88 -54.32 40.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.748 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 17.6 mt -42.81 -60.58 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -38.43 -37.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -59.81 -55.26 36.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -58.08 -58.88 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.486 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.42 -41.03 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.89 -46.01 79.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.446 ' NE2' HD12 ' A' ' 79' ' ' ILE . 41.3 t60 -47.21 -60.68 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.6 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.2 tp-100 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 t -42.19 -50.52 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.65 -59.92 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -38.85 -41.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 12' ' ' GLN . 37.6 t -68.84 -56.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 78.7 t90 -41.91 -49.06 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 m -61.24 -48.76 79.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -65.28 -24.66 67.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.46 -60.29 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.572 HG23 HG23 ' A' ' 22' ' ' THR . 3.8 m -58.22 -18.52 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.747 ' HB ' HG11 ' A' ' 28' ' ' VAL . 68.6 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.747 HG11 ' HB ' ' A' ' 22' ' ' THR . 75.6 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.9 0.381 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -117.13 103.18 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -84.62 58.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 48.3 p -71.26 -27.35 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -140.01 171.14 14.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -114.5 34.57 4.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.512 ' HB ' HG23 ' A' ' 95' ' ' ILE . 20.8 p -131.59 -67.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 37' ' ' TRP . 63.5 p -80.47 -49.2 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -38.89 -27.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.848 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 26.9 m95 -107.33 -26.95 10.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.607 ' NH1' HD13 ' A' ' 65' ' ' ILE . 23.6 ttp85 -35.76 -49.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -66.43 -46.78 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.79 29.36 4.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -80.85 -68.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.587 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.2 m -43.63 -37.78 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.44 -54.85 41.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.9 m -66.79 -35.97 81.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.636 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -62.33 -49.15 76.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.521 HG12 HG21 ' A' ' 21' ' ' VAL . 73.0 mt -55.84 -54.71 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 44.5 tp -62.0 -24.7 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -79.83 -30.65 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -55.12 -62.44 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -61.01 -51.94 67.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.596 ' HB3' HD12 ' A' ' 54' ' ' LEU . 14.2 tpp180 -129.4 93.28 36.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.9 Cg_endo -69.77 2.97 3.06 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -112.9 28.6 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 51' ' ' ARG . 13.1 mt -114.01 -34.15 5.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.744 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.35 -176.4 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.744 ' H ' HG22 ' A' ' 55' ' ' ILE . 2.6 m-20 -112.78 28.98 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.636 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 23.3 t80 -55.79 -18.48 8.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -68.88 -21.05 64.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -132.76 23.6 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.523 HD21 ' NZ ' ' A' ' 71' ' ' LYS . 9.4 mt -86.78 -174.94 5.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 37.9 m-20 -171.63 159.91 4.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.29 2.85 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.737 2.292 . . . . 0.0 112.328 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' OE1' ' C ' ' A' ' 63' ' ' GLN . 1.7 pp0? -80.13 -11.47 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -112.05 114.23 26.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.607 HD13 ' NH1' ' A' ' 38' ' ' ARG . 18.5 mt -100.39 -44.13 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' HB2' HG21 ' A' ' 91' ' ' VAL . 13.9 ttpt -79.34 -42.75 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 68' ' ' ASN . 4.5 tp10 -66.55 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' GLU . 21.3 m-20 -35.59 -53.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.1 m-80 -62.28 -47.32 84.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -53.33 -47.18 69.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.523 ' NZ ' HD21 ' A' ' 60' ' ' LEU . 29.0 mttt -47.85 -59.53 3.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.813 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -48.48 -71.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' ALA . 7.9 m-85 -34.07 -51.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -51.96 -46.22 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.89 -54.32 4.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.813 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 29.0 m-85 -49.84 -56.12 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.46 -8.56 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.051 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 3.2 t -74.31 -37.46 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.483 HD11 HD11 ' A' ' 81' ' ' ILE . 6.1 pt -83.45 -31.36 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.7 35.83 0.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.483 HD11 HD11 ' A' ' 79' ' ' ILE . 16.8 mt -109.47 93.63 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.7 p -44.27 129.64 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.22 124.5 28.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 104' ' ' TYR . 53.4 mt -107.43 -50.82 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.7 tp -90.2 147.62 23.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -102.28 145.85 31.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.732 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.42 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.3 Cg_endo -69.78 -43.22 2.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.64 2.227 . . . . 0.0 112.337 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.42 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . 88.2 p -67.06 -50.87 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.721 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.5 m-20 -36.67 -47.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.2 mmt -50.13 -47.84 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 66' ' ' LYS . 23.8 t -68.17 -49.34 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 89' ' ' ASP . 61.1 mt -41.94 -59.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.647 ' C ' HD12 ' A' ' 93' ' ' LEU . 1.1 pp -95.06 -179.43 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.42 -67.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.512 HG23 ' HB ' ' A' ' 34' ' ' THR . 28.5 mm -111.08 130.31 23.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.623 0.725 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.18 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.242 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 98' ' ' LYS . 23.8 m-20 -100.03 98.17 8.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 97' ' ' ASP . 16.6 tttp -34.33 -54.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.2 mt -51.11 -54.58 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 98.7 m -53.56 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.6 t -43.27 -60.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.8 mtp -47.93 -47.14 32.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.3 m -51.01 -51.68 50.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.492 ' HA ' HD12 ' A' ' 84' ' ' LEU . 14.5 t80 -59.9 -50.24 74.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.848 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 12.2 mt -47.06 -59.61 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 105' ' ' LEU . 21.9 m-85 -37.57 -43.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -53.87 -60.66 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.657 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -48.17 -53.4 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 31.9 ttt-85 -60.79 -36.85 80.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.51 84.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -52.96 -61.58 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 16' ' ' VAL . 28.7 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' GLN . 68.3 m -36.3 -70.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.92 HD22 ' CE1' ' A' ' 106' ' ' TYR . 47.2 tp -44.85 -53.04 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -52.16 -33.16 39.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 12' ' ' GLN . 60.4 t -76.54 -46.28 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.526 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 75.0 t90 -48.68 -45.78 39.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.493 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.8 m -71.05 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -48.9 -26.21 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -73.12 -56.86 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.63 HG23 HG23 ' A' ' 22' ' ' THR . 14.1 m -62.52 -23.34 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.723 ' HB ' HG11 ' A' ' 28' ' ' VAL . 32.7 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.723 HG11 ' HB ' ' A' ' 22' ' ' THR . 71.3 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.922 0.392 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -119.0 93.33 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -73.35 67.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m -80.71 -18.73 46.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -143.12 179.97 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CD1' ' SD ' ' A' ' 102' ' ' MET . 25.8 m-85 -124.9 22.07 8.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.0 p -126.76 -70.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.3 p -74.93 -46.28 36.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -45.16 -25.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.488 ' CH2' HD21 ' A' ' 105' ' ' LEU . 56.4 m95 -106.45 -24.72 12.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.482 ' NH1' HD13 ' A' ' 65' ' ' ILE . 19.5 ttp85 -37.05 -53.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -61.67 -42.82 99.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.02 33.24 4.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -87.02 -65.88 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.483 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 58.5 m -49.68 -27.4 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -69.66 -49.1 56.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.6 m -72.2 -40.75 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.09 -54.91 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.429 HG12 HG21 ' A' ' 21' ' ' VAL . 30.9 mt -48.68 -65.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.574 ' HG ' HD11 ' A' ' 55' ' ' ILE . 35.9 tp -50.58 -26.59 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.489 ' CG ' ' HA ' ' A' ' 52' ' ' PRO . 16.1 t60 -74.69 -36.72 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 10.0 t60 -50.29 -55.55 14.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.54 -43.47 63.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.3 mmp_? -134.97 93.43 17.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.489 ' HA ' ' CG ' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 3.29 2.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -108.69 -28.43 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.6 mt -53.31 -34.44 57.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.73 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -122.65 -177.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.73 ' H ' HG22 ' A' ' 55' ' ' ILE . 27.3 t70 -115.3 27.44 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 13.4 t80 -54.16 -20.31 6.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -63.55 -23.24 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.2 t -134.4 30.3 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.485 HD21 ' HE3' ' A' ' 71' ' ' LYS . 10.1 mt -92.21 -174.83 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 40.4 m-20 -173.33 159.75 3.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.39 2.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.6 pp0? -81.08 -5.37 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 9.5 m-20 -120.38 113.3 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.482 HD13 ' NH1' ' A' ' 38' ' ' ARG . 15.8 mt -97.83 -46.77 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -74.88 -48.46 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 37.7 tt0 -61.34 -65.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' GLU . 17.3 m-20 -35.19 -55.42 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.411 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.9 m-80 -61.33 -46.23 91.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -55.03 -38.27 67.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.485 ' HE3' HD21 ' A' ' 60' ' ' LEU . 11.5 mttm -52.28 -54.35 32.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.559 ' HB1' ' CD2' ' A' ' 76' ' ' PHE . . . -57.98 -64.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.107 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD2' ' HD3' ' A' ' 87' ' ' PRO . 16.3 m-85 -37.83 -28.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' ALA . 19.6 t70 -85.59 -41.66 15.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.44 -50.93 8.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 19.2 m-85 -58.31 -31.3 67.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.71 -4.2 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.4 m -71.59 -35.61 70.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.652 ' H ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -91.2 -36.22 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.52 42.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.8 mt -107.62 88.29 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.6 m -40.63 130.06 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -81.88 115.67 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.495 HD11 ' OE1' ' A' ' 107' ' ' GLN . 67.4 mt -98.4 -50.31 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.437 HD21 ' SD ' ' A' ' 90' ' ' MET . 19.9 tp -85.43 147.27 26.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -105.0 148.15 35.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.416 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.7 Cg_endo -69.79 -45.76 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.0 p -62.59 -41.63 99.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -48.36 -50.7 29.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.437 ' SD ' HD21 ' A' ' 85' ' ' LEU . 4.0 mmt -50.6 -28.02 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.4 t -87.72 -46.31 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.8 mt -47.49 -68.07 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.4 pp -81.89 176.16 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.21 -64.19 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.441 ' O ' HD13 ' A' ' 93' ' ' LEU . 4.8 mm -112.94 125.78 29.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.23 19.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 100' ' ' THR . 5.9 m-20 -83.79 96.2 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 97' ' ' ASP . 21.7 tttt -34.33 -41.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.3 -49.95 74.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 103' ' ' THR . 89.6 m -59.32 -73.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' THR . 98.0 t -34.42 -56.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.568 ' SD ' HD23 ' A' ' 14' ' ' LEU . 26.1 mmm -52.29 -42.65 63.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 100' ' ' THR . 97.9 m -57.64 -38.46 75.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -73.01 -43.49 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.488 HD21 ' CH2' ' A' ' 37' ' ' TRP . 14.1 mt -52.21 -55.26 22.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.92 ' CE1' HD22 ' A' ' 14' ' ' LEU . 23.8 m-85 -41.73 -34.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.495 ' OE1' HD11 ' A' ' 84' ' ' LEU . 6.8 mt-30 -63.14 -59.16 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.0 mp -51.09 -58.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.526 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 9.2 ttt-85 -55.08 -39.41 69.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.12 -51.84 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -51.71 -67.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.707 ' O ' HG23 ' A' ' 16' ' ' VAL . 35.9 tp60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -52.7 -50.56 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 106' ' ' TYR . 31.3 tp -58.86 -65.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' CD1' HG22 ' A' ' 30' ' ' ILE . 7.7 tp -39.38 -42.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 12' ' ' GLN . 31.2 t -76.74 -35.13 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.571 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 41.8 t90 -45.29 -49.07 12.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.625 ' SG ' HD11 ' A' ' 30' ' ' ILE . 52.6 t -69.62 -56.04 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.922 ' HG3' HD13 ' A' ' 30' ' ' ILE . 8.1 mtpm? -52.57 -17.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -81.37 -56.71 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.5 m -68.91 -20.6 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.528 ' HB ' HG11 ' A' ' 28' ' ' VAL . 44.0 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 22' ' ' THR . 32.5 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -120.37 143.91 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.922 HD13 ' HG3' ' A' ' 19' ' ' LYS . 5.2 mp -118.57 56.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.5 m -74.19 -17.61 60.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.172 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -145.79 176.26 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CE1' HD13 ' A' ' 105' ' ' LEU . 8.5 m-85 -120.99 24.67 10.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.453 HG22 ' HG2' ' A' ' 96' ' ' PRO . 0.7 OUTLIER -134.5 -69.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.5 p -74.5 -31.45 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -61.36 -29.12 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 22.9 m95 -107.09 -18.49 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.1 ttt-85 -37.93 -49.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -64.82 -55.3 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.7 26.55 2.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -78.85 -69.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.541 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 63.4 m -43.32 -33.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 9.4 m-85 -65.51 -54.02 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.7 m -65.78 -39.31 90.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.54 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -59.91 -47.07 87.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mt -56.94 -53.1 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.61 HD21 ' HA3' ' A' ' 75' ' ' GLY . 44.6 tp -63.68 -29.39 70.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -74.52 -33.99 62.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 72.7 t60 -52.95 -60.59 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -61.81 -51.17 69.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.637 ' HB3' HD12 ' A' ' 54' ' ' LEU . 8.2 tpp180 -132.84 94.54 21.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.822 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.8 Cg_endo -69.77 0.58 5.45 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -107.58 20.26 19.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 51' ' ' ARG . 12.4 mt -107.52 -34.6 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.683 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -122.25 -179.61 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.683 ' H ' HG22 ' A' ' 55' ' ' ILE . 5.2 t0 -112.33 31.31 6.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 12.0 t80 -56.81 -21.32 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -64.33 -20.35 66.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -133.85 25.79 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.6 mt -89.3 -174.64 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 36.1 m-20 -173.68 160.21 3.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.83 2.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.421 ' C ' ' CD ' ' A' ' 63' ' ' GLN . 1.5 pp0? -82.35 -4.79 57.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -119.65 113.64 20.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 ' HA ' ' A' ' 39' ' ' ASN . 26.9 mt -98.7 -43.72 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 21.8 ttpt -76.9 -51.99 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 68' ' ' ASN . 3.7 tp10 -56.54 -66.23 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 67' ' ' GLU . 53.3 m-20 -34.37 -49.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.2 m-80 -62.99 -52.09 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -52.79 -44.68 66.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -49.0 -58.51 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -55.0 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.471 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 13.6 m-30 -37.85 -39.06 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.43 -42.08 83.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.61 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -74.39 -58.43 4.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 34.8 m-85 -52.7 -46.15 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -72.29 0.41 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -85.75 -32.54 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.59 HD12 ' NE2' ' A' ' 111' ' ' HIS . 4.1 pt -87.11 -30.84 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.17 33.71 0.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.505 HD13 HG13 ' A' ' 108' ' ' ILE . 36.3 mt -106.71 87.55 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.5 m -47.94 107.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 151.92 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 104' ' ' TYR . 33.2 mt -131.48 -49.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.532 HD22 HG22 ' A' ' 101' ' ' VAL . 13.0 tp -82.59 157.24 23.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 89' ' ' ASP . 15.9 mt-10 -106.84 142.78 25.72 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.635 0.731 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -43.41 2.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.442 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 59.9 p -68.53 -38.71 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.425 ' CG ' ' HB2' ' A' ' 86' ' ' GLU . 6.8 m-20 -49.05 -51.07 33.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -49.0 -19.57 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.418 HG21 ' HB2' ' A' ' 66' ' ' LYS . 24.8 t -99.82 -41.97 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.7 mt -51.06 -33.02 23.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.87 178.43 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.57 -66.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mm -107.72 128.74 25.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.453 ' HG2' HG22 ' A' ' 34' ' ' THR . 53.5 Cg_endo -69.8 -171.14 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.99 98.0 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -38.19 -39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.42 -54.16 44.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.416 ' CG2' HD13 ' A' ' 85' ' ' LEU . 4.1 m -57.77 -67.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.532 HG22 HD22 ' A' ' 85' ' ' LEU . 61.2 t -39.74 -60.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.409 ' HE3' ' CD2' ' A' ' 33' ' ' PHE . 2.3 mtp -42.99 -52.55 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.5 m -47.54 -44.79 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.556 ' HA ' HD12 ' A' ' 84' ' ' LEU . 11.3 t80 -67.39 -47.61 69.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.473 HD13 ' CE1' ' A' ' 33' ' ' PHE . 20.4 mt -51.32 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.451 ' CE1' HD22 ' A' ' 14' ' ' LEU . 43.7 m-85 -34.24 -40.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -60.02 -56.83 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.676 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.0 mp -53.66 -50.67 49.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.571 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 18.6 ttp180 -60.03 -39.1 84.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.55 76.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.59 ' NE2' HD12 ' A' ' 79' ' ' ILE . 32.1 t60 -48.03 -50.54 27.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 16' ' ' VAL . 32.8 tt0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 p -42.07 -68.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' TRP . 20.5 tp -41.45 -60.18 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -46.06 -30.24 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 12' ' ' GLN . 84.8 t -87.68 -26.76 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.54 ' O ' HG13 ' A' ' 21' ' ' VAL . 74.0 t90 -68.34 -38.45 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.53 ' SG ' HG21 ' A' ' 30' ' ' ILE . 16.6 p -75.92 -49.89 16.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -61.77 -16.15 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -81.55 -57.04 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 17' ' ' TRP . 2.0 m -65.86 -21.21 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.798 ' HB ' HG11 ' A' ' 28' ' ' VAL . 80.4 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.798 HG11 ' HB ' ' A' ' 22' ' ' THR . 60.9 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.885 0.374 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 130.91 50.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.53 HG21 ' SG ' ' A' ' 18' ' ' CYS . 5.2 mp -120.28 84.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.523 HG23 ' ND2' ' A' ' 32' ' ' ASN . 6.7 t -98.04 -24.13 15.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.523 ' ND2' HG23 ' A' ' 31' ' ' THR . 5.3 m-20 -146.52 164.09 33.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -105.41 40.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 96' ' ' PRO . 19.9 p -133.33 -74.41 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 95' ' ' ILE . 35.2 p -79.66 -39.66 30.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -45.25 -31.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 36.2 m95 -104.98 -21.16 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 65' ' ' ILE . 8.0 ttt-85 -40.13 -40.37 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 5.3 p-10 -74.94 -57.05 4.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.83 -22.56 4.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 mt -38.36 -54.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.585 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 51.9 m -59.24 -41.48 88.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.65 -51.13 70.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' ALA . 90.8 m -68.06 -59.44 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.619 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -34.53 -48.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.8 mt -55.27 -59.99 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.747 ' HG ' HD11 ' A' ' 55' ' ' ILE . 37.7 tp -56.36 -24.05 41.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 52' ' ' PRO . 15.3 t60 -75.5 -33.84 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.48 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 26.7 t60 -54.76 -47.3 74.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -73.36 -44.35 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 5.3 mmm180 -143.74 105.82 4.97 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.461 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 3.18 2.93 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.46 -42.3 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -41.72 -34.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.747 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -125.11 -175.8 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' ILE . 19.9 m-20 -117.79 26.73 9.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.619 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 15.9 t80 -52.38 -20.12 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -61.24 -26.42 67.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -133.3 33.3 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.7 mt -94.98 -175.42 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 39.5 m-20 -171.9 159.78 4.59 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.5 2.76 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.445 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -78.9 -17.42 55.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 18.3 m-20 -106.26 114.67 28.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.62 HG23 ' O ' ' A' ' 38' ' ' ARG . 39.7 mt -97.03 -48.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 20.1 ttpt -74.3 -51.52 14.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 68' ' ' ASN . 18.2 tt0 -57.08 -64.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' GLU . 36.0 m-20 -36.56 -50.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.2 m-80 -64.46 -47.5 78.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -54.55 -52.14 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -46.49 -37.77 8.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.723 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -69.9 -69.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.458 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 19.0 m-85 -35.78 -41.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -63.56 -45.1 92.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -71.7 -52.02 13.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.723 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 62.3 m-85 -60.42 -49.5 77.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -63.75 -12.07 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 t -67.24 -29.39 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.617 HD12 ' NE2' ' A' ' 111' ' ' HIS . 7.9 pt -95.71 -29.04 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.95 -23.71 0.9 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.496 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.626 HD13 HG13 ' A' ' 108' ' ' ILE . 95.5 mt -52.44 98.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -48.5 177.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 76.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 104' ' ' TYR . 0.6 OUTLIER -56.65 -52.39 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.456 HD21 ' SD ' ' A' ' 90' ' ' MET . 15.9 tp -104.39 160.0 15.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -111.59 149.26 40.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.458 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.4 Cg_endo -69.76 -46.97 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.474 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 90.4 p -64.25 -46.31 84.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.634 ' HA ' HD12 ' A' ' 92' ' ' LEU . 5.9 m-20 -45.01 -51.35 10.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.456 ' SD ' HD21 ' A' ' 85' ' ' LEU . 3.2 mmt -49.78 -30.38 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.462 HG21 ' HB2' ' A' ' 66' ' ' LYS . 3.3 t -86.73 -43.69 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 89' ' ' ASP . 76.7 mt -47.85 -46.41 31.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 93' ' ' LEU . 1.5 pp -103.9 167.79 9.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.03 -50.37 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 35' ' ' THR . 45.7 mm -124.13 127.25 25.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.4 ' HG3' ' O ' ' A' ' 34' ' ' THR . 54.1 Cg_endo -69.75 173.29 11.18 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 98' ' ' LYS . 21.3 m-20 -91.58 95.14 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' ASP . 7.1 tmtt? -34.42 -45.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.4 mt -53.92 -49.11 69.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' ASP . 98.3 m -65.78 -55.99 14.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.6 t -46.62 -64.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -41.27 -51.28 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.9 m -47.26 -52.97 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 84' ' ' LEU . 11.4 t80 -55.83 -59.77 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.61 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 31.6 mt -44.58 -56.19 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -42.32 -35.09 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -64.16 -49.97 70.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.626 HG13 HD13 ' A' ' 81' ' ' ILE . 4.3 mp -62.48 -58.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.465 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 6.0 ttt85 -47.2 -36.27 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.33 -41.46 56.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.617 ' NE2' HD12 ' A' ' 79' ' ' ILE . 4.2 t60 -51.57 -56.09 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.868 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' SER . 22.0 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.791 0.329 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' GLN . 81.8 p -35.97 -56.83 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 15' ' ' LEU . 24.8 tp -58.37 -62.53 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.0 tp -37.42 -39.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' TRP . 84.5 t -73.25 -53.59 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.525 ' CH2' HG22 ' A' ' 108' ' ' ILE . 61.6 t90 -34.35 -43.74 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.481 ' O ' HG22 ' A' ' 21' ' ' VAL . 50.4 t -73.29 -64.35 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -41.16 -36.7 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.5 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 17' ' ' TRP . 4.4 m -54.54 -19.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.605 ' CB ' HG11 ' A' ' 28' ' ' VAL . 43.1 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.605 HG11 ' CB ' ' A' ' 22' ' ' THR . 84.1 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.904 0.383 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -112.69 100.35 8.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -84.48 73.82 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.585 HG23 ' OD1' ' A' ' 32' ' ' ASN . 2.0 t -83.18 -28.94 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.585 ' OD1' HG23 ' A' ' 31' ' ' THR . 5.7 m120 -137.53 -179.38 5.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 8.2 m-85 -120.55 24.57 10.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 18.0 p -127.78 -62.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.445 ' CG2' HD12 ' A' ' 95' ' ' ILE . 81.7 p -82.03 -50.69 8.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -43.27 -28.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.616 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 43.7 m95 -103.58 -26.83 12.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' TRP . 24.1 ttt-85 -35.92 -52.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 p30 -62.3 -55.02 32.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.93 34.13 1.56 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 62' ' ' PRO . 71.3 mt -90.32 -39.56 12.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.578 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 61.4 m -70.35 -26.92 63.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 33.1 m-85 -74.08 -46.26 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.0 m -75.61 -31.42 59.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -64.88 -44.48 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.403 HG12 HG21 ' A' ' 21' ' ' VAL . 52.6 mt -58.15 -62.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.564 HD11 HD13 ' A' ' 54' ' ' LEU . 33.1 tp -52.26 -22.38 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -75.39 -45.68 37.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -44.84 -48.68 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -74.37 -49.96 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HB3' HD12 ' A' ' 54' ' ' LEU . 8.7 tpp180 -134.67 99.55 12.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.577 0.703 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.5 Cg_endo -69.77 3.42 2.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -104.49 -36.66 7.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' A' ' 51' ' ' ARG . 10.4 mt -45.83 -40.18 9.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.684 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -121.64 -175.09 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 55' ' ' ILE . 47.1 m-20 -117.67 28.09 8.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 35.6 t80 -51.48 -18.71 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -63.3 -31.17 72.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -128.3 31.75 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.3 mt -91.19 -175.84 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 39.3 m-20 -171.75 159.79 4.73 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.677 0.751 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.451 ' HB3' HD11 ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.75 2.95 3.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.69 -10.58 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 10.9 m-20 -113.42 112.62 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.5 mt -100.54 -45.81 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HB2' HG21 ' A' ' 91' ' ' VAL . 13.4 ttpt -75.6 -42.35 52.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' ASN . 14.0 tt0 -67.89 -67.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 67' ' ' GLU . 31.4 m-20 -34.21 -57.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 8.0 m-80 -56.1 -55.88 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -48.82 -43.33 38.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.401 ' NZ ' ' HB2' ' A' ' 56' ' ' ASP . 6.8 mtpt -49.08 -58.55 4.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -53.56 -66.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.551 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 6.4 m-85 -36.47 -38.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.63 -44.25 64.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -68.2 -45.12 72.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.461 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 54.1 m-85 -72.36 -44.76 62.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -71.17 -10.88 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.5 t -72.66 -31.43 65.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.2 pt -89.82 -38.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.19 -18.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.658 HD13 HG13 ' A' ' 108' ' ' ILE . 65.1 mt -61.1 91.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.2 p -52.45 124.34 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HA ' ' CE1' ' A' ' 104' ' ' TYR . 1.5 ppt_? -74.02 137.62 43.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mp -113.2 -52.78 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -77.53 147.46 35.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.86 142.89 25.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.3 6.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.7 t -69.87 -56.6 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.498 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -38.45 -43.02 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.42 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 9.2 mmm -53.98 -44.8 71.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 66' ' ' LYS . 60.5 t -67.27 -48.48 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 89' ' ' ASP . 37.4 mt -49.82 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.5 pp -77.86 165.07 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.57 -55.66 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.465 ' C ' HD13 ' A' ' 93' ' ' LEU . 34.3 mm -118.43 123.74 29.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.729 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.9 Cg_endo -69.72 179.99 3.29 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.48 111.45 23.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -46.36 -50.62 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.96 -45.52 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.3 m -63.39 -65.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.9 t -42.98 -60.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.8 mtp -45.01 -46.02 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.3 m -50.66 -59.59 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.487 ' CE1' ' HA ' ' A' ' 83' ' ' ARG . 17.7 t80 -51.83 -48.48 63.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.616 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.3 mt -56.47 -51.57 67.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -44.66 -33.01 1.67 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -67.32 -46.11 74.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.658 HG13 HD13 ' A' ' 81' ' ' ILE . 3.7 mp -65.41 -60.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.523 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 27.2 ttt180 -48.14 -39.39 20.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.55 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -51.1 -57.19 9.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.5 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.7 m -38.49 -64.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.515 HD23 ' CE1' ' A' ' 33' ' ' PHE . 17.0 tp -48.13 -57.82 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 3.0 tp -48.08 -30.73 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 12' ' ' GLN . 88.0 t -83.86 -38.49 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.485 ' CG ' ' HG3' ' A' ' 109' ' ' ARG . 84.4 t90 -62.33 -44.86 95.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.15 -42.75 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 23.8 mtpt -68.6 -37.13 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.01 -57.07 14.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.567 HG21 HG12 ' A' ' 46' ' ' ILE . 13.8 m -59.74 -26.02 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.886 ' HB ' HG11 ' A' ' 28' ' ' VAL . 77.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.886 HG11 ' HB ' ' A' ' 22' ' ' THR . 92.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' THR . 19.0 ttmt -120.69 84.4 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.575 HD12 ' H ' ' A' ' 30' ' ' ILE . 5.2 mp -61.27 77.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' LYS . 19.4 p -79.03 -35.32 42.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -139.51 -179.19 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CE1' HD23 ' A' ' 14' ' ' LEU . 42.0 m-85 -117.03 30.23 7.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.0 p -128.31 -62.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' TRP . 68.7 p -87.05 -48.08 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -40.08 -28.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.595 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 30.5 m95 -106.96 -26.34 11.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 65' ' ' ILE . 18.9 ttp85 -34.2 -48.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -65.89 -54.27 28.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.29 -9.18 8.36 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 62' ' ' PRO . 85.8 mt -53.81 -59.52 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.595 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 14.2 m -52.86 -34.21 53.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 6.8 m-85 -65.66 -53.94 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 87.3 m -66.75 -56.41 10.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -35.01 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.567 HG12 HG21 ' A' ' 21' ' ' VAL . 70.1 mt -70.07 -57.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.563 HD23 ' CG1' ' A' ' 55' ' ' ILE . 30.3 tp -59.76 -22.18 61.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.516 ' CG ' ' HA ' ' A' ' 52' ' ' PRO . 14.0 t60 -78.02 -32.48 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -51.76 -56.73 12.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -69.52 -46.65 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -134.85 99.62 12.49 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.516 ' HA ' ' CG ' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.7 3.36 2.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.85 -41.71 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.16 -34.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.712 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.41 -177.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.712 ' H ' HG22 ' A' ' 55' ' ' ILE . 2.5 t70 -116.69 31.69 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 14.0 t80 -54.96 -25.55 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -61.76 -18.11 58.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.0 t -135.03 26.84 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -93.26 -177.96 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.409 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 31.4 m-20 -170.36 160.91 6.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.85 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.514 ' HB3' HD11 ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.82 7.63 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.317 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.459 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 2.1 pp0? -84.97 -21.02 29.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.459 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 19.3 m-20 -103.03 114.67 29.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 38' ' ' ARG . 49.6 mt -99.36 -49.94 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.495 ' HB2' HG21 ' A' ' 91' ' ' VAL . 12.4 ttpt -71.52 -51.54 23.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' ASN . 22.5 tt0 -56.44 -63.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 39.8 m-20 -36.4 -58.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.65 -53.28 59.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -48.75 -43.82 38.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -52.56 -51.12 61.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.698 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -56.65 -70.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.526 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 17.7 m-85 -34.6 -47.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.62 -46.18 77.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.99 -55.44 4.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.698 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 20.5 m-85 -49.09 -50.67 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.9 -24.12 65.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 t -54.4 -43.37 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.937 HD12 ' NE2' ' A' ' 111' ' ' HIS . 14.2 pt -76.04 -33.95 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.07 31.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.484 ' CD1' HD11 ' A' ' 79' ' ' ILE . 49.0 mt -101.43 103.11 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -51.92 121.01 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -78.24 116.16 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mp -95.66 -50.04 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.437 HD22 HG22 ' A' ' 101' ' ' VAL . 15.1 tp -90.9 147.5 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -106.54 151.33 40.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.729 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.526 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 54.1 Cg_endo -69.71 -47.71 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 t -56.81 -53.32 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.612 ' HA ' HD12 ' A' ' 92' ' ' LEU . 7.1 m-20 -39.0 -50.29 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mmt -47.84 -40.95 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 66' ' ' LYS . 21.2 t -75.48 -48.23 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 89' ' ' ASP . 77.0 mt -44.26 -67.04 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 95' ' ' ILE . 3.8 pp -86.07 166.97 15.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.49 -72.73 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.438 ' O ' HD13 ' A' ' 93' ' ' LEU . 16.8 mm -109.86 129.1 24.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 179.93 3.33 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.71 105.17 17.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -41.59 -41.08 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.22 -45.39 93.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.7 m -65.56 -55.64 16.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.437 HG22 HD22 ' A' ' 85' ' ' LEU . 97.2 t -52.7 -64.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 mtp -38.31 -51.04 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -46.32 -58.31 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -52.68 -53.81 42.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.507 HD13 ' HE1' ' A' ' 33' ' ' PHE . 17.5 mt -47.21 -56.18 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -40.66 -35.23 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -64.88 -57.01 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.546 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.2 mp -51.76 -58.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.485 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 7.0 ttt85 -48.44 -41.81 30.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.93 -45.16 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.937 ' NE2' HD12 ' A' ' 79' ' ' ILE . 6.9 t60 -50.44 -59.6 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.692 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.7 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.794 0.331 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -49.36 -44.45 44.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD23 ' CZ ' ' A' ' 33' ' ' PHE . 28.3 tp -57.63 -69.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 tp -39.78 -26.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 12' ' ' GLN . 22.6 t -88.79 -38.37 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.75 ' O ' HG13 ' A' ' 21' ' ' VAL . 74.1 t90 -56.58 -40.12 74.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -76.81 -54.52 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -57.55 -22.72 46.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.06 -56.72 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 17' ' ' TRP . 3.3 m -61.81 -23.12 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.67 ' CB ' HG11 ' A' ' 28' ' ' VAL . 48.3 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.67 HG11 ' CB ' ' A' ' 22' ' ' THR . 31.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.913 0.387 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -122.32 101.26 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 30' ' ' ILE . 4.9 mp -87.56 68.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 31' ' ' THR . 92.7 m -79.93 -14.39 58.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -151.59 177.02 10.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 19.8 m-85 -116.64 34.4 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.5 p -131.64 -72.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.619 ' CG2' HD12 ' A' ' 95' ' ' ILE . 70.4 p -74.96 -53.39 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -39.73 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.934 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 43.5 m95 -107.36 -26.32 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' THR . 11.9 ttp85 -37.03 -55.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.495 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 4.1 p-10 -56.64 -58.56 7.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.52 1.03 7.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 62' ' ' PRO . 55.2 mt -54.94 -66.69 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.517 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 4.9 m -45.33 -51.75 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -46.23 -47.91 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.32 -58.33 3.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.789 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -40.54 -46.69 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -56.06 -54.3 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.558 HD23 ' CG1' ' A' ' 55' ' ' ILE . 30.6 tp -65.36 -23.83 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 52' ' ' PRO . 9.8 t60 -80.29 -20.57 44.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -64.06 -46.88 82.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -82.99 -43.5 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HB3' HD12 ' A' ' 54' ' ' LEU . 6.5 tpt180 -132.43 92.93 26.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 54.0 Cg_endo -69.78 -6.99 19.94 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -96.8 -16.77 20.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 51' ' ' ARG . 12.2 mt -68.28 -38.21 81.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.711 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -120.64 -177.31 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.711 ' H ' HG22 ' A' ' 55' ' ' ILE . 46.0 m-20 -114.57 27.36 9.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.789 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 22.7 t80 -53.73 -18.72 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -63.51 -25.03 68.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -134.31 31.3 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.6 mt -91.89 -174.77 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 39.0 m-20 -172.07 159.8 4.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.513 ' HB3' HD11 ' A' ' 41' ' ' LEU . 54.4 Cg_endo -69.72 3.4 2.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HG3' ' CB ' ' A' ' 61' ' ' ASN . 1.9 pp0? -80.01 -13.85 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -109.39 114.44 28.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 mt -97.2 -47.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -79.05 -48.62 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.24 -58.47 8.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -42.86 -48.53 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 4.2 m-80 -65.11 -58.2 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -44.89 -45.33 10.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -49.38 -56.47 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.33 -63.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 22.8 m-85 -38.13 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ALA . 26.5 t0 -78.78 -44.36 23.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.514 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -73.75 -43.59 34.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.451 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 21.4 m-85 -65.72 -48.37 72.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.04 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 m -58.07 -45.95 86.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.573 HD12 ' NE2' ' A' ' 111' ' ' HIS . 16.0 pt -72.33 -35.0 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.68 34.62 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.545 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.556 HD13 HG13 ' A' ' 108' ' ' ILE . 29.0 mt -105.2 102.02 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 111.115 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -54.96 126.79 25.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.441 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 11.0 mtm105 -78.29 126.81 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 36.4 mt -108.52 -35.53 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -103.91 154.95 19.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -110.33 148.52 38.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.494 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.78 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.262 . . . . 0.0 112.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.5 t -57.95 -54.64 44.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.609 ' HA ' HD12 ' A' ' 92' ' ' LEU . 10.2 t0 -35.38 -43.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -54.76 -45.63 74.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 88' ' ' SER . 23.6 t -69.91 -47.41 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 89' ' ' ASP . 44.7 mt -46.47 -55.87 6.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.3 pp -90.98 176.78 6.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.64 -66.45 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.619 HD12 ' CG2' ' A' ' 35' ' ' THR . 33.2 mm -117.61 132.25 23.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 95' ' ' ILE . 53.3 Cg_endo -69.78 178.07 4.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.622 2.214 . . . . 0.0 112.332 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.1 m-20 -93.51 101.53 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 97' ' ' ASP . 31.7 tttt -34.3 -51.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.49 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 103' ' ' THR . 21.7 m -41.42 -66.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' THR . 89.2 t -35.63 -55.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.4 mtp -60.22 -37.15 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 100' ' ' THR . 33.3 m -58.62 -47.03 85.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.661 ' O ' HD12 ' A' ' 108' ' ' ILE . 26.0 t80 -65.87 -42.26 90.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.934 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 11.3 mt -57.01 -54.31 48.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -44.03 -38.38 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -60.1 -51.13 70.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 104' ' ' TYR . 5.0 mp -59.31 -56.69 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 25.7 ttt-85 -50.07 -39.15 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.59 -41.7 75.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.573 ' NE2' HD12 ' A' ' 79' ' ' ILE . 12.7 t60 -52.99 -50.84 63.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.725 ' O ' HG23 ' A' ' 16' ' ' VAL . 26.4 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.839 0.352 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.6 p -40.12 -48.59 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.42 -63.49 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 tp -37.21 -35.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 12' ' ' GLN . 70.7 t -73.08 -54.45 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.589 ' CZ3' HG21 ' A' ' 46' ' ' ILE . 23.4 t90 -35.17 -52.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.49 ' SG ' HD11 ' A' ' 46' ' ' ILE . 7.0 t -64.82 -63.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -48.95 -21.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.82 -62.37 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.42 -19.99 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.59 ' HB ' HG11 ' A' ' 28' ' ' VAL . 80.7 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.59 HG11 ' HB ' ' A' ' 22' ' ' THR . 8.2 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.914 0.387 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' HD12 ' A' ' 30' ' ' ILE . 19.1 mtpp -132.67 -34.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.3 mp 60.64 50.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.527 HG23 ' ND2' ' A' ' 32' ' ' ASN . 5.1 t -69.67 -26.25 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.527 ' ND2' HG23 ' A' ' 31' ' ' THR . 4.4 m-20 -143.07 167.35 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 40.5 m-85 -112.11 36.02 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.9 p -130.66 -70.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.451 ' CG2' HD12 ' A' ' 95' ' ' ILE . 67.8 p -82.68 -43.43 16.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.204 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 t -45.24 -28.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.787 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 43.1 m95 -104.72 -27.05 12.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' TRP . 19.3 ttp85 -34.95 -50.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.465 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -63.5 -53.41 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 112.18 41.52 1.06 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -96.5 -52.08 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.36 . . . . 0.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.544 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 29.6 m -59.74 -33.08 71.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.43 -44.5 90.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.21 -34.83 49.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HB1' HG22 ' A' ' 22' ' ' THR . . . -55.29 -45.15 76.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.589 HG21 ' CZ3' ' A' ' 17' ' ' TRP . 51.1 mt -62.42 -66.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.564 HD23 ' CG1' ' A' ' 55' ' ' ILE . 20.3 tp -47.31 -31.73 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 18.4 t60 -69.65 -41.09 76.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -47.59 -51.35 21.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -75.8 -46.81 28.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HB3' HD12 ' A' ' 54' ' ' LEU . 13.7 tpt180 -140.33 105.0 6.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.443 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -44.13 2.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.3 -38.72 63.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 51' ' ' ARG . 10.9 mt -48.67 -37.64 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.66 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.69 178.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.66 ' H ' HG22 ' A' ' 55' ' ' ILE . 1.8 m-20 -115.68 25.1 11.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.443 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 9.0 t80 -48.02 -26.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -35.05 70.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.2 p -123.21 33.05 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 10.0 mt -93.96 -175.08 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 38.0 m-20 -173.87 160.07 3.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.483 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.46 -21.04 45.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.483 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 17.6 m-20 -102.0 114.98 29.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.408 ' CG2' HG22 ' A' ' 91' ' ' VAL . 88.1 mt -101.95 -44.03 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 88' ' ' SER . 20.4 ttpt -79.66 -44.57 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 68' ' ' ASN . 26.0 tt0 -64.52 -65.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLU . 15.9 m-20 -34.2 -58.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 4.1 m-80 -56.12 -49.09 74.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -54.22 -49.19 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -44.06 -47.3 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.76 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -61.47 -71.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 15.3 m-85 -32.73 -53.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -49.09 -46.21 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -78.56 -53.52 4.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.76 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 15.5 m-85 -49.12 -51.47 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.838 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.45 71.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t -44.7 -48.14 10.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.691 HD11 ' CD1' ' A' ' 81' ' ' ILE . 17.8 pt -73.06 -38.57 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.3 32.71 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.432 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.691 ' CD1' HD11 ' A' ' 79' ' ' ILE . 68.5 mt -102.03 101.65 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.7 m -51.28 125.18 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' CD ' ' HB3' ' A' ' 73' ' ' TYR . 28.1 mtm180 -84.36 114.78 22.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 104' ' ' TYR . 35.6 mt -91.97 -46.92 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.58 HD22 HG22 ' A' ' 101' ' ' VAL . 12.4 tp -88.31 149.09 23.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -108.03 147.64 35.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.727 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.529 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.6 Cg_endo -69.79 -50.76 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.467 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . 90.8 p -59.37 -50.28 74.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.626 ' HA ' HD12 ' A' ' 92' ' ' LEU . 10.7 t0 -42.62 -47.17 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -49.26 -48.75 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.408 HG22 ' CG2' ' A' ' 65' ' ' ILE . 48.4 t -66.8 -47.44 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 89' ' ' ASP . 39.9 mt -49.4 -60.16 3.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.434 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.4 pp -84.54 159.43 20.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.63 -59.84 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.451 HD12 ' CG2' ' A' ' 35' ' ' THR . 39.9 mm -119.48 123.93 28.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 176.92 6.14 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.2 m-20 -91.38 101.08 13.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' ASP . 4.4 ttpm? -36.72 -48.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.9 mt -54.58 -56.07 22.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.5 m -51.7 -60.9 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.58 HG22 HD22 ' A' ' 85' ' ' LEU . 98.8 t -49.83 -59.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.9 mtp -47.23 -45.16 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.1 m -55.44 -57.44 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.64 ' HA ' HD12 ' A' ' 84' ' ' LEU . 32.5 t80 -51.64 -59.05 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.787 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 13.0 mt -39.86 -58.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 105' ' ' LEU . 16.4 m-85 -37.07 -43.52 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -52.05 -58.67 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.626 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.8 mp -52.63 -55.03 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 5.6 ttt-85 -54.86 -33.67 62.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.04 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -62.25 -51.26 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.825 ' O ' HG23 ' A' ' 16' ' ' VAL . 23.0 tp60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -47.02 -56.06 7.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.5 -62.04 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 tp -39.49 -41.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 12' ' ' GLN . 59.8 t -67.11 -53.38 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 47.4 t90 -34.65 -52.85 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t -65.15 -63.89 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -43.28 -25.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -73.13 -61.1 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.57 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.8 m -66.48 -18.99 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.494 ' HB ' HG11 ' A' ' 28' ' ' VAL . 72.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.744 HG12 HD11 ' A' ' 30' ' ' ILE . 10.1 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.957 0.408 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.435 ' C ' HD12 ' A' ' 30' ' ' ILE . 33.6 ttpt -117.7 -20.66 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.744 HD11 HG12 ' A' ' 28' ' ' VAL . 4.0 mp 50.31 53.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.58 HG23 ' ND2' ' A' ' 32' ' ' ASN . 5.2 t -63.5 -26.84 68.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.58 ' ND2' HG23 ' A' ' 31' ' ' THR . 10.9 m-80 -148.71 177.52 9.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 55.5 m-85 -114.99 34.52 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 p -127.84 -72.08 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' ARG . 76.3 p -78.83 -53.32 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' THR . 13.6 t -36.42 -34.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.604 ' CH2' HD21 ' A' ' 105' ' ' LEU . 40.1 m95 -99.01 -29.28 12.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 65' ' ' ILE . 23.4 ttt-85 -35.52 -44.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 p30 -70.42 -47.24 61.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.474 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 106.97 42.99 1.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' HB3' ' A' ' 62' ' ' PRO . 67.9 mt -96.87 -56.95 2.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.579 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 20.4 m -59.62 -32.54 70.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 6.2 m-85 -65.3 -44.75 86.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.4 m -77.81 -34.1 52.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.542 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -58.47 -53.25 60.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.449 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 50.4 mt -49.59 -61.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.543 HD23 ' CG1' ' A' ' 55' ' ' ILE . 31.3 tp -53.02 -32.38 46.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 52' ' ' PRO . 11.6 t60 -69.66 -39.0 77.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 32.0 t60 -47.08 -41.31 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -82.37 -43.88 16.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.642 ' HB3' HD12 ' A' ' 54' ' ' LEU . 10.1 tpt180 -136.19 104.85 9.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.692 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.555 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.8 -3.28 11.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -101.16 -39.72 7.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 51' ' ' ARG . 11.6 mt -41.86 -40.79 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.543 ' CG1' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -122.51 171.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.534 ' H ' HG22 ' A' ' 55' ' ' ILE . 4.8 t0 -104.29 23.68 12.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 11.3 t80 -49.58 -22.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -58.32 -32.53 68.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -129.27 35.41 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.423 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 10.5 mt -93.97 -176.43 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 37.6 m-20 -171.29 160.02 5.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HB3' HD11 ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.72 3.93 2.47 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.59 -19.16 50.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 20.9 m-20 -104.59 114.7 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 38' ' ' ARG . 83.4 mt -98.99 -39.81 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -85.22 -50.45 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' HG2' ' CE ' ' A' ' 71' ' ' LYS . 15.3 tt0 -57.61 -57.87 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -45.84 -54.61 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.4 m-80 -59.02 -47.91 83.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.435 ' N ' ' HB3' ' A' ' 87' ' ' PRO . 35.0 tttm -48.92 -46.09 42.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.483 ' CE ' ' HG2' ' A' ' 67' ' ' GLU . 11.2 mttm -49.76 -62.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -44.47 -73.21 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' ALA . 17.1 m-85 -35.6 -44.56 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -62.86 -44.68 95.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.05 -57.07 4.97 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CE1' HG21 ' A' ' 108' ' ' ILE . 38.7 m-85 -52.55 -42.97 64.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.28 69.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -45.74 -49.25 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.771 HD11 ' CD1' ' A' ' 81' ' ' ILE . 19.2 pt -70.03 -38.56 75.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.29 33.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.771 ' CD1' HD11 ' A' ' 79' ' ' ILE . 74.0 mt -103.27 99.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -47.89 132.96 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -84.56 110.08 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.478 HD13 ' HD1' ' A' ' 104' ' ' TYR . 7.5 mp -87.88 -44.24 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.4 tp -96.81 154.35 17.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -112.02 150.9 43.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HB3' ' N ' ' A' ' 70' ' ' LYS . 53.5 Cg_endo -69.73 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.3 p -64.35 -33.74 76.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.835 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -53.41 -38.67 63.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.53 -36.98 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.0 t -72.22 -51.22 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.835 HD12 ' HA ' ' A' ' 89' ' ' ASP . 17.4 mt -41.83 -55.51 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.475 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.3 pp -95.72 173.8 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.472 ' O ' ' CD ' ' A' ' 38' ' ' ARG . . . -90.75 -53.02 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.475 ' C ' HD13 ' A' ' 93' ' ' LEU . 15.9 mm -120.54 124.45 27.62 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.24 2.76 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -97.86 96.78 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' ASP . 5.1 ttpm? -34.38 -56.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -40.26 -60.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.9 m -56.94 -60.79 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.6 t -42.61 -61.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.8 mtp -50.78 -43.4 58.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 61.7 m -55.06 -47.02 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.478 ' HD1' HD13 ' A' ' 84' ' ' LEU . 17.2 t80 -60.65 -51.88 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.604 HD21 ' CH2' ' A' ' 37' ' ' TRP . 9.1 mt -45.23 -60.51 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.419 ' O ' ' CB ' ' A' ' 110' ' ' ALA . 24.8 m-85 -37.05 -41.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -55.98 -53.51 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -63.15 -58.04 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -55.23 -33.6 63.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 106' ' ' TYR . . . -72.76 -41.1 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.488 ' NE2' HD12 ' A' ' 79' ' ' ILE . 2.0 t-80 -57.26 -53.17 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.894 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.782 ' O ' HG23 ' A' ' 16' ' ' VAL . 16.3 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.789 0.328 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 t -47.27 -50.17 22.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.52 -59.32 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -50.93 -27.31 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 12' ' ' GLN . 90.4 t -87.02 -38.43 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.522 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 90.0 t90 -60.27 -45.44 93.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' HG21 ' A' ' 30' ' ' ILE . 2.7 p -69.48 -42.96 74.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -67.99 -21.24 65.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -73.04 -55.65 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.436 ' HB ' ' CG ' ' A' ' 49' ' ' HIS . 1.9 m -67.78 -24.02 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.825 ' HB ' HG11 ' A' ' 28' ' ' VAL . 80.9 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.825 HG11 ' HB ' ' A' ' 22' ' ' THR . 58.7 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.889 0.376 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -120.75 87.53 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.579 HD12 ' H ' ' A' ' 30' ' ' ILE . 5.3 mp -71.84 82.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.421 HG23 ' CG ' ' A' ' 32' ' ' ASN . 11.3 t -90.74 -27.45 18.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' CG ' HG23 ' A' ' 31' ' ' THR . 12.2 m-20 -141.11 177.81 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 32.4 m-85 -117.97 32.55 6.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.7 -72.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' ARG . 73.9 p -77.53 -50.21 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 m -38.23 -34.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.673 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 25.4 m95 -100.96 -26.61 13.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' TRP . 32.5 ttt-85 -35.63 -48.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.479 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 p30 -65.95 -53.78 34.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.49 36.8 1.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 mt -87.7 -60.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.48 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 67.7 m -52.81 -37.89 60.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -57.75 -45.38 85.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.7 m -75.96 -41.88 50.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.702 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -57.19 -59.62 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.421 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 86.2 mt -42.49 -54.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.6 HD23 ' CG1' ' A' ' 55' ' ' ILE . 32.9 tp -59.01 -37.11 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -66.34 -30.84 71.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.436 ' CG ' ' HB ' ' A' ' 21' ' ' VAL . 14.9 t-80 -56.02 -45.38 79.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -72.97 -51.2 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 2.3 mmp_? -139.0 105.1 7.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.6 Cg_endo -69.79 1.93 4.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -107.99 36.74 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.9 mt -126.92 -41.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.6 ' CG1' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -117.95 171.05 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.501 ' H ' HG22 ' A' ' 55' ' ' ILE . 73.2 m-20 -106.61 25.33 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.702 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 10.7 t80 -50.61 -23.92 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -57.23 -28.8 63.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -131.25 35.79 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 60' ' ' LEU . 12.1 mt -98.19 -178.33 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 35.9 m-20 -167.72 160.27 9.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 4.19 2.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.55 -20.47 46.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.476 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 20.6 m-20 -102.27 115.04 29.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -101.0 -46.85 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -75.39 -45.08 41.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 68' ' ' ASN . 21.7 tt0 -64.87 -65.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' GLU . 31.1 m-20 -35.46 -58.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 5.1 m-80 -57.1 -51.59 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -49.77 -45.6 49.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -48.44 -60.96 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.719 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -48.64 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.447 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 16.7 m-85 -34.29 -46.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -57.73 -46.41 84.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.0 -56.35 4.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.719 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 17.9 m-85 -48.98 -43.58 40.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HB2' ' HD2' ' A' ' 83' ' ' ARG . . . -70.35 -30.66 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -45.48 -49.09 13.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.442 HD11 ' CD1' ' A' ' 81' ' ' ILE . 24.3 pt -71.23 -41.04 74.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.441 ' N ' HG13 ' A' ' 79' ' ' ILE . . . 144.8 35.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 79' ' ' ILE . 30.2 mt -103.55 100.63 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 111.123 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.0 p -46.53 151.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 2.5 mpp_? -97.21 103.17 15.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.504 HD13 ' HD1' ' A' ' 104' ' ' TYR . 6.8 mp -85.32 -44.89 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 tp -102.1 151.2 22.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -109.28 150.43 41.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.673 0.749 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.76 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.0 p -56.11 -47.44 78.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.507 ' HA ' HD12 ' A' ' 92' ' ' LEU . 79.4 m-20 -42.33 -53.22 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.6 mmt -48.89 -41.67 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -70.68 -47.55 63.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 89' ' ' ASP . 56.8 mt -49.56 -59.34 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.3 pp -88.69 168.16 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.28 -62.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.455 ' O ' HD13 ' A' ' 93' ' ' LEU . 15.1 mm -116.34 127.71 26.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 176.7 6.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 98' ' ' LYS . 8.8 m-20 -89.68 101.59 14.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASP . 37.8 tttt -38.16 -53.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.0 -45.73 68.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.7 m -59.07 -59.87 4.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.7 t -50.07 -63.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.3 mtp -41.12 -47.33 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 96.5 m -54.96 -47.62 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.504 ' HD1' HD13 ' A' ' 84' ' ' LEU . 21.6 t80 -63.24 -49.48 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.673 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 10.2 mt -52.11 -60.66 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 105' ' ' LEU . 10.7 m-85 -34.73 -45.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -52.35 -55.33 22.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.756 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.8 mp -59.49 -56.46 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.522 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -54.19 -34.36 60.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.91 -40.69 53.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -58.8 -55.12 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 16' ' ' VAL . 9.3 tm0? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.86 0.362 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -53.18 -48.49 68.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 105' ' ' LEU . 23.6 tp -62.18 -59.47 5.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 33' ' ' PHE . 8.0 tp -49.41 -41.12 38.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 12' ' ' GLN . 48.0 t -70.32 -46.85 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 53.9 t90 -40.01 -52.07 2.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 20' ' ' GLU . 41.8 t -64.25 -64.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -43.11 -24.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 18' ' ' CYS . 3.5 tt0 -73.14 -50.31 23.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG23 HG23 ' A' ' 22' ' ' THR . 1.6 m -79.46 -12.25 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.832 ' HB ' HG11 ' A' ' 28' ' ' VAL . 68.9 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.832 HG11 ' HB ' ' A' ' 22' ' ' THR . 95.6 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.909 0.385 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -109.35 101.53 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -85.21 69.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.434 HG23 ' ND2' ' A' ' 32' ' ' ASN . 8.5 t -78.73 -26.0 44.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.434 ' ND2' HG23 ' A' ' 31' ' ' THR . 2.8 m-20 -144.28 -179.37 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.487 ' HE1' HD13 ' A' ' 105' ' ' LEU . 34.7 m-85 -114.36 29.69 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 p -131.71 -72.1 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.426 HG22 HH21 ' A' ' 38' ' ' ARG . 63.7 p -71.54 -41.61 68.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.37 -24.44 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.627 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 25.2 m95 -111.97 -23.62 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.426 HH21 HG22 ' A' ' 35' ' ' THR . 13.6 ttm180 -35.74 -47.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.489 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -68.09 -56.97 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.25 32.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.67 -67.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 46.1 m -47.89 -39.91 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CE1' ' CE2' ' A' ' 104' ' ' TYR . 10.7 m-85 -55.35 -44.9 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 m -76.99 -47.14 21.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.739 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -54.77 -55.41 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.3 mt -44.87 -56.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.506 HD23 ' CG1' ' A' ' 55' ' ' ILE . 36.5 tp -56.59 -31.67 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 5.1 t60 -69.36 -41.02 77.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -47.77 -41.36 23.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 34.4 m-85 -76.49 -51.84 10.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.718 ' HB2' HD12 ' A' ' 54' ' ' LEU . 4.3 mmt180 -133.14 103.35 12.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.76 3.07 2.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.82 32.44 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' A' ' 51' ' ' ARG . 15.6 mt -116.37 -39.7 3.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -118.32 175.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.628 ' H ' HG22 ' A' ' 55' ' ' ILE . 34.9 t70 -107.55 23.78 13.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.739 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 13.0 t80 -49.55 -28.31 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -54.08 -29.64 45.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.4 t -128.92 36.33 4.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 12.8 mt -100.48 177.17 5.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 32.3 m-20 -161.93 160.69 22.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 4.9 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.48 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.7 pp0? -80.38 -20.3 44.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.48 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 17.3 m-20 -100.57 115.36 29.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.7 mt -98.74 -52.55 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.643 ' HB2' HG21 ' A' ' 91' ' ' VAL . 15.8 ttmt -74.21 -46.49 41.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.61 -65.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -39.22 -45.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.0 m-80 -66.02 -51.21 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -50.91 -52.89 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -41.96 -58.67 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.771 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -50.31 -68.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.458 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 17.9 m-85 -33.39 -54.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -48.53 -44.33 36.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.11 -53.17 4.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.771 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 22.3 m-85 -49.82 -51.49 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.638 ' HB2' ' HD2' ' A' ' 83' ' ' ARG . . . -65.99 -35.13 79.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -44.67 -50.62 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.679 HD12 ' CD2' ' A' ' 111' ' ' HIS . 16.0 pt -68.95 -39.8 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.403 ' N ' HG13 ' A' ' 79' ' ' ILE . . . 146.01 32.96 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.639 ' CD1' HD11 ' A' ' 79' ' ' ILE . 63.6 mt -106.84 98.0 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.3 m -42.58 157.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.638 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -96.9 92.3 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 84' ' ' LEU . 7.6 mp -80.27 -43.97 20.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.3 tp -98.38 152.48 19.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.424 ' HB2' ' CG ' ' A' ' 89' ' ' ASP . 60.2 mm-40 -110.89 146.18 33.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.458 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.6 Cg_endo -69.79 -50.51 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 91' ' ' VAL . 85.2 p -58.01 -52.21 66.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.624 ' HA ' HD12 ' A' ' 92' ' ' LEU . 2.2 m-20 -37.03 -45.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -56.81 -42.24 79.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 66' ' ' LYS . 64.3 t -74.37 -51.74 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 89' ' ' ASP . 52.3 mt -40.11 -64.83 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.532 ' C ' HD12 ' A' ' 93' ' ' LEU . 1.8 pp -93.31 176.8 6.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.33 -61.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.417 ' O ' HD13 ' A' ' 93' ' ' LEU . 18.5 mm -99.44 126.35 37.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.733 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -176.44 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.31 94.76 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -42.09 -59.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.6 mt -47.2 -51.48 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.9 m -58.92 -55.74 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.0 t -49.68 -61.15 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.3 mtp -45.08 -48.07 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.2 m -59.05 -40.3 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.588 ' O ' HD12 ' A' ' 108' ' ' ILE . 24.0 t80 -65.93 -49.88 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.627 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 22.4 mt -50.04 -58.67 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -38.04 -42.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -57.4 -52.52 65.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.592 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -61.77 -57.67 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.03 -40.27 63.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.84 79.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.679 ' CD2' HD12 ' A' ' 79' ' ' ILE . 52.9 t60 -52.0 -55.51 20.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.626 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 81.4 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 16' ' ' VAL . 22.2 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.764 0.316 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -46.34 -58.63 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.5 tp -54.57 -57.33 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 tp -45.98 -35.37 4.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 12' ' ' GLN . 55.5 t -77.78 -45.91 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.579 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 81.3 t90 -37.72 -51.52 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 t -67.89 -45.24 75.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.61 -21.17 37.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -83.12 -63.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' ' 46' ' ' ILE . 3.1 m -54.6 -29.61 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.777 ' CB ' HG11 ' A' ' 28' ' ' VAL . 59.0 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.777 HG11 ' CB ' ' A' ' 22' ' ' THR . 89.4 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -134.82 94.52 3.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.574 HD12 ' H ' ' A' ' 30' ' ' ILE . 4.3 mp -82.8 75.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -83.35 -22.03 32.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -148.99 -179.96 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 49.1 m-85 -121.1 31.17 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -127.35 -68.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.441 ' CG2' ' CD1' ' A' ' 95' ' ' ILE . 69.8 p -87.07 -30.65 20.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -55.16 -31.48 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.803 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 16.3 m95 -105.13 -17.08 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -41.93 -51.56 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 1.3 p30 -62.4 -56.16 20.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.75 29.38 2.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.25 -63.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.4 m -48.09 -41.75 27.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 22.4 m-85 -54.9 -46.79 74.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.2 m -75.08 -35.98 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.71 76.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.557 HG23 HG21 ' A' ' 21' ' ' VAL . 35.9 mt -55.24 -61.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.49 HD23 ' CG1' ' A' ' 55' ' ' ILE . 32.6 tp -51.45 -39.95 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.411 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 6.1 t60 -62.94 -34.13 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.493 ' CD2' ' HA ' ' A' ' 21' ' ' VAL . 25.3 t60 -54.04 -52.8 59.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.539 ' HE2' HG22 ' A' ' 46' ' ' ILE . 44.2 m-85 -64.58 -46.7 81.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HB3' HD12 ' A' ' 54' ' ' LEU . 10.3 tpp180 -143.66 105.0 4.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.6 Cg_endo -69.73 -0.19 6.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -108.3 28.77 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 51' ' ' ARG . 15.0 mt -114.89 -38.66 3.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.626 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -120.37 175.42 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.626 ' H ' HG22 ' A' ' 55' ' ' ILE . 66.7 m-20 -107.34 24.15 13.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.439 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 11.2 t80 -50.15 -23.14 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -57.67 -31.25 66.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -129.29 34.39 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 11.3 mt -94.74 176.08 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.411 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 30.2 m-20 -161.46 161.36 22.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.721 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 3.95 2.49 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.522 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.64 -22.83 43.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.522 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 16.3 m-20 -99.22 115.45 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.4 mt -103.02 -49.49 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HB2' HG21 ' A' ' 91' ' ' VAL . 3.9 ttmp? -72.35 -42.44 65.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.3 tp10 -66.3 -64.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' GLU . 17.0 m-20 -34.55 -44.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.433 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 4.7 m-80 -70.76 -44.26 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' GLU . 17.1 tptm -53.62 -54.95 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 68' ' ' ASN . 13.0 mtmm -44.96 -59.56 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.771 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -46.24 -72.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 72' ' ' ALA . 16.0 m-85 -34.02 -52.97 0.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.56 -44.56 46.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.78 -53.95 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.771 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 19.1 m-85 -49.64 -52.0 33.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.98 -22.31 65.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -53.96 -44.48 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 81' ' ' ILE . 16.9 pt -76.06 -37.95 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 144.85 33.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.592 ' CD1' HD11 ' A' ' 79' ' ' ILE . 69.7 mt -105.51 97.57 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 111.119 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t -44.84 145.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -95.16 105.35 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 104' ' ' TYR . 72.9 mt -86.01 -52.7 5.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.608 HD22 HG22 ' A' ' 101' ' ' VAL . 17.1 tp -87.32 154.72 20.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -110.23 148.26 37.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.668 0.747 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.406 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.8 -46.46 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 p -63.01 -45.83 90.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -43.08 -51.28 5.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.7 mmt -50.07 -32.93 16.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 66' ' ' LYS . 40.4 t -85.25 -40.73 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.9 mt -52.52 -49.77 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.4 pp -100.51 179.99 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.72 -61.53 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.441 ' CD1' ' CG2' ' A' ' 35' ' ' THR . 25.2 mm -115.94 128.06 26.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -178.62 2.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.4 m-20 -99.81 100.02 10.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' ASP . 14.6 ttmt -33.99 -57.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.6 mt -50.11 -45.08 52.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' ASP . 86.9 m -61.67 -51.61 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.608 HG22 HD22 ' A' ' 85' ' ' LEU . 98.1 t -63.2 -63.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 55.6 mtp -39.87 -49.62 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.8 m -52.77 -49.64 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.635 ' HA ' HD12 ' A' ' 84' ' ' LEU . 26.3 t80 -57.7 -46.07 84.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.803 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 11.5 mt -53.41 -59.8 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' LEU . 21.0 m-85 -36.18 -39.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -60.22 -44.69 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.551 HG13 HD13 ' A' ' 81' ' ' ILE . 4.1 mp -72.4 -56.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 tmt_? -54.8 -32.8 60.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.54 -43.74 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -51.94 -56.63 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 16' ' ' VAL . 7.6 tp-100 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -48.91 -49.35 40.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.97 -59.92 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -47.16 -47.08 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 12' ' ' GLN . 75.2 t -62.47 -44.08 98.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 88.8 t90 -52.81 -46.14 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 m -64.78 -52.81 54.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -59.33 -32.5 70.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -62.97 -69.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 3.5 m -51.08 -23.98 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.825 ' HB ' HG11 ' A' ' 28' ' ' VAL . 57.9 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.825 HG11 ' HB ' ' A' ' 22' ' ' THR . 89.4 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.853 0.359 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 31' ' ' THR . 1.7 ttmp? -114.05 88.3 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.6 HD12 ' H ' ' A' ' 30' ' ' ILE . 5.2 mp -69.6 79.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 ' HG2' ' A' ' 29' ' ' LYS . 17.8 p -82.65 -33.12 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -135.16 -175.85 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.493 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 57.0 m-85 -122.99 26.93 7.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.469 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 0.8 OUTLIER -126.9 -56.14 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 38' ' ' ARG . 63.4 p -90.46 -53.09 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' THR . 2.2 m -37.42 -32.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 20.1 m95 -102.52 -25.93 13.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 35' ' ' THR . 15.3 ttp85 -34.18 -49.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 10.2 p-10 -67.21 -54.27 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.5 35.14 1.33 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' HG ' ' ND2' ' A' ' 39' ' ' ASN . 35.7 mt -85.56 -57.07 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 70.5 m -57.06 -41.05 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.19 -47.46 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.8 m -74.33 -39.21 62.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -58.05 -53.28 60.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.432 HG12 HG21 ' A' ' 21' ' ' VAL . 65.0 mt -50.59 -61.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 30.7 tp -52.54 -33.2 44.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.458 ' HB2' HD13 ' A' ' 55' ' ' ILE . 9.6 t60 -73.95 -35.88 64.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.462 ' CE1' ' HA ' ' A' ' 21' ' ' VAL . 6.8 t-80 -51.6 -54.3 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 66.3 m-85 -66.1 -45.12 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HB3' HD12 ' A' ' 54' ' ' LEU . 24.9 tpt180 -142.1 105.05 5.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.644 0.735 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.4 Cg_endo -69.83 -6.26 18.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.301 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -101.85 33.39 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.487 HD12 ' HB3' ' A' ' 51' ' ' ARG . 15.0 mt -120.45 -37.16 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.5 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -124.94 170.1 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' H ' HG22 ' A' ' 55' ' ' ILE . 1.1 m-20 -101.81 27.45 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.43 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 12.1 t80 -51.58 -27.51 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -56.63 -25.05 52.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -132.74 34.09 3.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 11.9 mt -97.81 179.54 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 34.4 m-20 -164.98 160.5 14.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 4.51 2.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.502 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -80.05 -22.1 42.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.502 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 21.7 m-20 -100.55 115.13 29.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.415 HG23 ' HA ' ' A' ' 39' ' ' ASN . 53.0 mt -99.64 -46.85 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 24.0 ttpp -75.91 -46.91 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 68' ' ' ASN . 44.2 tt0 -62.1 -66.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 67' ' ' GLU . 24.8 m-20 -33.93 -59.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 15.3 m-80 -58.7 -56.57 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' N ' ' HB3' ' A' ' 87' ' ' PRO . 17.1 ttpp -43.57 -47.99 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -52.82 29.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.03 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 16.2 m-85 -34.95 -39.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -67.18 -47.04 72.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -69.76 -59.58 5.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 31.8 m-85 -50.06 -46.55 53.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.04 -24.97 64.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -55.15 -47.85 74.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 81' ' ' ILE . 19.8 pt -70.0 -36.89 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.13 32.73 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.529 HD13 HG13 ' A' ' 108' ' ' ILE . 64.0 mt -100.89 95.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.9 m -44.45 109.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HA ' ' CE1' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -70.63 140.07 51.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 104' ' ' TYR . 12.5 mt -122.46 -52.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -79.12 145.04 33.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -109.37 150.62 41.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HB3' ' N ' ' A' ' 70' ' ' LYS . 53.5 Cg_endo -69.75 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.481 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 87.2 p -55.75 -60.8 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.706 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -37.4 -47.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.501 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 18.7 mmm -50.51 -43.21 55.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' SER . 90.5 t -72.08 -49.01 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 89' ' ' ASP . 55.5 mt -44.26 -61.51 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.0 pp -87.17 163.8 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.63 -56.64 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 93' ' ' LEU . 42.8 mm -118.9 126.74 26.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.648 0.737 . . . . 0.0 111.159 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.469 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.2 Cg_endo -69.71 -172.44 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' THR . 0.7 OUTLIER -100.27 100.15 10.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASP . 3.6 ttpm? -38.08 -48.6 1.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.13 -42.3 72.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 97' ' ' ASP . 13.5 m -64.58 -65.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.2 t -44.37 -60.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 20.4 mtp -43.84 -47.33 8.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.2 m -53.6 -54.17 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.559 ' HA ' HD12 ' A' ' 84' ' ' LEU . 13.4 t80 -53.5 -58.68 6.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.543 HD21 ' CH2' ' A' ' 37' ' ' TRP . 15.7 mt -38.5 -62.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 105' ' ' LEU . 20.6 m-85 -34.73 -39.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -60.42 -46.53 89.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.529 HG13 HD13 ' A' ' 81' ' ' ILE . 5.1 mp -69.51 -58.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.49 -36.41 61.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 106' ' ' TYR . . . -68.78 -46.84 67.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -51.75 -60.96 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.417 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 63.3 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.441 ' O ' HG23 ' A' ' 16' ' ' VAL . 28.4 tp60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.79 0.328 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 m -43.0 -57.5 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 15' ' ' LEU . 12.8 tp -56.88 -64.05 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.74 ' CD1' HG22 ' A' ' 30' ' ' ILE . 5.0 tp -32.17 -65.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.592 ' HA ' ' HZ2' ' A' ' 19' ' ' LYS . 22.3 t -44.1 -59.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.623 ' HZ3' HD13 ' A' ' 46' ' ' ILE . 92.2 t90 -32.24 -41.19 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.9 m -77.45 -47.81 18.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.592 ' HZ2' ' HA ' ' A' ' 16' ' ' VAL . 5.6 mtmp? -56.63 -42.06 78.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.97 -70.23 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.553 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.5 m -49.8 -25.47 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.746 ' HB ' HG11 ' A' ' 28' ' ' VAL . 75.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.746 HG11 ' HB ' ' A' ' 22' ' ' THR . 94.0 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.948 0.404 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -116.13 97.15 5.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.74 HG22 ' CD1' ' A' ' 15' ' ' LEU . 4.2 mp -74.81 81.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 m -94.2 -27.38 16.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -148.34 152.91 37.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.576 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 40.2 m-85 -92.1 13.56 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.7 p -111.45 -64.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 37' ' ' TRP . 59.3 p -80.85 -52.8 7.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 32' ' ' ASN . 1.2 t -38.33 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.764 ' CH2' HD21 ' A' ' 105' ' ' LEU . 16.6 m95 -111.22 -19.82 12.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' THR . 9.0 ttp85 -35.74 -49.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.66 ' HA ' HG23 ' A' ' 65' ' ' ILE . 1.1 p30 -74.3 -42.97 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.22 33.41 2.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 mt -83.42 -68.56 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.592 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.8 m -47.14 -21.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 5.4 m-85 -77.87 -41.32 37.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.52 -31.06 37.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -66.35 -44.18 83.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.623 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 63.9 mt -58.96 -60.07 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.666 ' HG ' HD11 ' A' ' 55' ' ' ILE . 45.5 tp -56.01 -30.75 62.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -69.71 -42.17 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.553 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 46.5 t60 -47.19 -38.99 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -83.05 -50.16 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.4 tpt180 -134.81 102.84 11.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.5 Cg_endo -69.74 2.37 3.58 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -104.84 -34.63 8.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 47' ' ' LEU . 12.0 mt -49.42 -34.56 16.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.666 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -128.39 177.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.642 ' H ' HG22 ' A' ' 55' ' ' ILE . 20.0 m-20 -110.63 27.7 9.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 16.0 t80 -51.84 -22.84 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -61.23 -28.82 69.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.8 t -128.55 31.03 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.9 mt -92.45 -174.88 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 38.9 m-20 -173.62 159.88 3.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 3.32 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.79 -13.15 59.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 15.5 m-20 -110.49 114.38 27.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.66 HG23 ' HA ' ' A' ' 39' ' ' ASN . 17.8 mt -98.44 -47.14 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HB2' HG21 ' A' ' 91' ' ' VAL . 40.2 ttmt -74.4 -52.34 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 70' ' ' LYS . 4.2 tp10 -56.25 -67.4 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLU . 16.4 m-20 -34.1 -46.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.3 m-80 -68.02 -44.79 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' GLU . 22.4 ttpp -61.26 -35.65 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' A' ' 55' ' ' ILE . 14.4 mttm -58.86 -52.16 66.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.689 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -55.48 -74.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.059 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' ALA . 5.0 m-85 -34.43 -51.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -48.95 -46.41 43.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.51 -53.15 4.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.689 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 20.9 m-85 -49.89 -56.84 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.52 -11.9 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 1.8 t -68.77 -38.06 79.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.75 HD12 ' CD2' ' A' ' 111' ' ' HIS . 7.6 pt -82.54 -23.96 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.82 30.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.631 HD11 HD11 ' A' ' 79' ' ' ILE . 82.7 mt -105.21 97.4 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -50.85 120.6 4.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.4 ptt85 -78.78 125.62 29.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -105.48 -54.0 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.546 HD22 HG22 ' A' ' 101' ' ' VAL . 20.7 tp -73.86 156.14 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -114.6 143.02 29.15 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.681 0.753 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -44.39 2.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.3 m -65.32 -42.13 93.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.76 -44.43 38.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -52.33 -41.72 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 66' ' ' LYS . 21.3 t -71.8 -50.14 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.3 mt -42.37 -67.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.604 ' C ' HD12 ' A' ' 93' ' ' LEU . 2.7 pp -84.34 -175.96 6.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.84 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.7 mm -111.0 129.98 23.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 179.14 3.9 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.53 103.46 15.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -42.25 -44.92 3.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.5 mt -53.68 -52.94 58.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.3 m -58.69 -67.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.546 HG22 HD22 ' A' ' 85' ' ' LEU . 96.4 t -39.3 -61.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.9 mtp -45.34 -44.5 11.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.9 m -57.35 -42.66 82.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -68.18 -49.93 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.764 HD21 ' CH2' ' A' ' 37' ' ' TRP . 8.3 mt -49.1 -55.94 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -40.63 -43.13 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -54.92 -56.76 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.63 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.7 mp -52.51 -57.91 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.533 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 9.5 ttt85 -49.92 -39.75 41.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.52 -45.18 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.75 ' CD2' HD12 ' A' ' 79' ' ' ILE . 5.1 t60 -47.12 -48.59 23.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.89 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.2 tm0? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.838 0.352 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 p -49.7 -39.16 35.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.545 HD22 ' CE1' ' A' ' 106' ' ' TYR . 67.2 tp -76.62 -62.22 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 6.2 tp -43.37 -33.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.1 t -80.99 -44.71 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.479 ' O ' HG13 ' A' ' 21' ' ' VAL . 80.4 t90 -42.0 -49.78 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.4 t -69.15 -55.97 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' CG ' HD13 ' A' ' 30' ' ' ILE . 6.3 mtpm? -50.83 -20.0 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -81.01 -55.87 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 17' ' ' TRP . 1.7 m -68.97 -13.59 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.921 ' HB ' HG11 ' A' ' 28' ' ' VAL . 81.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.921 HG11 ' HB ' ' A' ' 22' ' ' THR . 98.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.858 0.361 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' THR . 69.8 tttt -118.5 83.82 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.633 HD12 ' H ' ' A' ' 30' ' ' ILE . 5.3 mp -60.49 75.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -85.5 -26.78 26.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.43 177.1 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.579 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 14.0 m-85 -112.26 8.84 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 73.0 p -111.99 -61.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 38' ' ' ARG . 40.6 p -78.15 -56.7 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' THR . 13.8 t -37.96 -31.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.631 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 18.1 m95 -107.41 -19.61 13.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 35' ' ' THR . 9.2 ttp85 -39.58 -47.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -73.95 -54.46 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.75 24.57 2.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.6 mt -75.91 -64.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.505 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 49.2 m -49.37 -39.34 31.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 12.1 m-85 -58.42 -55.85 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -64.97 -35.87 82.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -58.15 -46.87 84.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.71 -65.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.737 ' HG ' HD11 ' A' ' 55' ' ' ILE . 59.1 tp -50.91 -26.52 5.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 24.5 t-80 -79.79 -26.8 40.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -56.66 -42.9 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -86.49 -51.61 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.911 ' CB ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -120.16 90.95 45.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.712 . . . . 0.0 110.833 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.581 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.76 4.07 2.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 33.9 t0 -110.17 -22.5 11.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.911 HD12 ' CB ' ' A' ' 51' ' ' ARG . 7.5 mt -60.23 -42.89 96.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.737 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -116.43 -179.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.662 ' H ' HG22 ' A' ' 55' ' ' ILE . 18.6 m-20 -112.99 30.94 6.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 21.3 t80 -55.69 -19.81 12.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -69.09 -21.6 64.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -131.5 21.6 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD21 ' HZ3' ' A' ' 71' ' ' LYS . 9.6 mt -83.57 -174.9 5.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -171.59 159.92 4.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.42 2.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.389 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.409 ' C ' ' CD ' ' A' ' 63' ' ' GLN . 1.7 pp0? -80.78 -9.27 59.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 11.9 m-20 -114.88 113.76 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.428 HG23 ' HA ' ' A' ' 39' ' ' ASN . 59.4 mt -100.42 -42.68 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.623 ' HB2' HG21 ' A' ' 91' ' ' VAL . 25.9 ttmt -81.02 -42.25 21.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 68' ' ' ASN . 13.1 tt0 -66.82 -64.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 67' ' ' GLU . 32.8 m-20 -35.13 -52.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 18.1 m-80 -63.17 -56.21 18.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -46.18 -42.75 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HZ3' HD21 ' A' ' 60' ' ' LEU . 36.7 mttt -54.11 -42.7 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -65.87 -59.31 3.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.593 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 8.4 m-85 -46.55 -23.9 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.87 -39.45 51.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -82.33 -45.45 6.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 37.9 m-85 -65.48 -44.47 87.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -71.12 -17.59 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.2 t -68.37 -46.95 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.556 HD12 ' NE2' ' A' ' 111' ' ' HIS . 8.5 pt -68.95 -35.09 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.35 37.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.533 ' CD1' HD11 ' A' ' 79' ' ' ILE . 62.0 mt -106.73 93.5 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.2 m -38.81 139.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -85.12 126.11 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 44.9 mt -113.08 -51.32 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.479 HD21 ' CE ' ' A' ' 90' ' ' MET . 21.1 tp -89.87 154.15 20.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -111.25 146.5 34.7 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.693 0.758 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.643 2.229 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 m -61.0 -45.9 92.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -43.0 -52.17 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.479 ' CE ' HD21 ' A' ' 85' ' ' LEU . 2.7 mmt -49.49 -39.1 32.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.623 HG21 ' HB2' ' A' ' 66' ' ' LYS . 59.1 t -70.5 -46.89 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.6 mt -53.28 -58.3 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.1 pp -87.38 155.42 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.36 -69.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.8 mm -105.74 123.58 38.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.679 0.752 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.8 Cg_endo -69.74 156.4 63.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.88 108.59 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -45.44 -51.86 10.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.0 mt -47.41 -57.15 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.5 m -51.49 -71.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.5 t -38.03 -57.61 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.4 mtp -49.26 -43.57 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.2 m -57.56 -39.63 77.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.442 ' CZ ' HD11 ' A' ' 108' ' ' ILE . 31.8 t80 -73.17 -43.68 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.631 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.2 mt -54.65 -51.13 66.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.545 ' CE1' HD22 ' A' ' 14' ' ' LEU . 29.9 m-85 -47.31 -30.21 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -69.04 -59.37 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.626 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.7 mp -52.11 -47.1 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -62.63 -34.75 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.89 -51.5 25.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.556 ' NE2' HD12 ' A' ' 79' ' ' ILE . 32.2 t60 -46.09 -47.35 17.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.424 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.1 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -40.56 -60.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.34 -47.87 77.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.7 tp -51.24 -38.66 53.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' GLN . 40.2 t -75.28 -50.28 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.517 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 87.2 t90 -39.09 -47.46 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.435 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.4 m -64.72 -71.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -38.81 -31.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -64.94 -54.79 25.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.562 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.2 m -66.59 -22.67 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.7 ' HB ' HG11 ' A' ' 28' ' ' VAL . 61.0 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.7 HG11 ' HB ' ' A' ' 22' ' ' THR . 15.9 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.893 0.377 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -135.01 72.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.711 HD12 ' H ' ' A' ' 30' ' ' ILE . 4.8 mp -60.16 76.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' LYS . 7.0 t -87.44 -19.97 27.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -141.41 -177.94 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.471 ' HE1' HD13 ' A' ' 105' ' ' LEU . 15.9 m-85 -125.4 19.86 8.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.4 -62.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.0 p -88.03 -12.97 42.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 t -74.21 -23.47 59.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.524 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 6.9 m95 -116.9 -8.47 11.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.677 ' O ' HG23 ' A' ' 65' ' ' ILE . 22.9 ttt-85 -44.23 -39.08 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -78.98 -45.92 19.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.76 24.24 5.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.81 -71.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.332 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.503 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.0 m -42.78 -46.36 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -52.49 -46.42 66.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.7 m -74.77 -29.78 61.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -68.37 -43.73 76.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mt -58.28 -56.47 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.586 HD11 HD13 ' A' ' 54' ' ' LEU . 55.6 tp -58.98 -27.27 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.409 ' HB2' HD13 ' A' ' 55' ' ' ILE . 56.4 t-80 -78.57 -18.14 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 76.0 t60 -68.76 -50.4 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.478 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 28.5 m-85 -69.17 -52.05 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 2.3 mmm-85 -132.94 103.8 12.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.7 Cg_endo -69.72 3.04 2.98 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -112.9 27.71 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 47' ' ' LEU . 15.9 mt -110.84 -41.15 4.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.688 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -120.51 -177.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.688 ' H ' HG22 ' A' ' 55' ' ' ILE . 55.0 m-20 -115.49 26.56 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 22.9 t80 -50.34 -19.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -63.73 -33.71 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.8 p -121.98 28.25 7.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.4 mt -91.02 -174.72 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 36.8 m-20 -173.5 159.99 3.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.744 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.48 2.74 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.225 . . . . 0.0 112.341 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.444 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.77 -14.28 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.444 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 16.4 m-20 -110.49 114.0 27.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.677 HG23 ' O ' ' A' ' 38' ' ' ARG . 82.3 mt -99.46 -39.51 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -78.86 -49.29 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 68' ' ' ASN . 10.0 tt0 -60.77 -69.54 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.478 ' C ' ' O ' ' A' ' 67' ' ' GLU . 20.9 m-20 -32.15 -54.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.408 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 3.9 m-80 -60.96 -51.82 67.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -51.25 -52.07 48.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HE2' HD21 ' A' ' 60' ' ' LEU . 19.7 mtpp -44.18 -51.56 8.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -57.04 -70.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 72' ' ' ALA . 11.2 m-85 -34.49 -40.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.34 -47.38 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -66.48 -55.05 19.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.486 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 48.8 m-85 -56.78 -50.56 71.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.5 -5.63 8.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -73.45 -20.15 60.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.423 HD12 ' NE2' ' A' ' 111' ' ' HIS . 4.5 pt -105.8 -23.16 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.184 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.81 -5.8 2.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.602 HD13 HG13 ' A' ' 108' ' ' ILE . 41.2 mt -71.04 92.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.107 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.544 ' O ' HD12 ' A' ' 84' ' ' LEU . 75.0 m -55.15 127.87 31.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -74.84 123.11 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.606 HD13 ' HD1' ' A' ' 104' ' ' TYR . 7.8 mp -98.08 -47.94 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.614 HD22 HG22 ' A' ' 101' ' ' VAL . 9.5 tp -85.57 160.34 19.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -113.85 147.78 38.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.15 0.97 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.5 p -65.32 -46.52 79.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.493 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.1 m-20 -42.42 -48.85 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.1 mmt -55.75 -36.83 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.9 t -72.07 -41.46 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 89' ' ' ASP . 36.1 mt -58.91 -65.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.538 ' C ' HD12 ' A' ' 93' ' ' LEU . 4.4 pp -81.32 156.79 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.49 -57.84 3.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.533 ' C ' HD13 ' A' ' 93' ' ' LEU . 2.3 mm -115.75 124.07 30.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.63 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.8 m-20 -110.92 101.04 9.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' ASP . 12.5 ttpt -36.95 -52.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 mt -50.3 -50.28 51.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.3 m -57.73 -70.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.614 HG22 HD22 ' A' ' 85' ' ' LEU . 99.4 t -41.34 -60.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.1 mtp -42.68 -49.2 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -52.63 -56.47 15.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.606 ' HD1' HD13 ' A' ' 84' ' ' LEU . 12.3 t80 -50.48 -47.36 57.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.524 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.0 mt -53.36 -59.54 4.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 105' ' ' LEU . 11.7 m-85 -37.54 -32.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' LEU . 24.5 mm-40 -68.7 -44.15 74.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.602 HG13 HD13 ' A' ' 81' ' ' ILE . 3.8 mp -68.31 -54.25 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.517 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 8.8 ttt-85 -55.39 -40.76 71.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.57 80.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.423 ' NE2' HD12 ' A' ' 79' ' ' ILE . 18.2 t60 -51.04 -42.63 60.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.478 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 70.1 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.711 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.4 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.8 p -42.17 -57.3 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' CZ ' ' A' ' 33' ' ' PHE . 45.3 tp -57.55 -63.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD1' HG22 ' A' ' 30' ' ' ILE . 6.4 tp -40.4 -31.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 12' ' ' GLN . 59.6 t -80.24 -50.67 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.599 ' HZ3' HD13 ' A' ' 46' ' ' ILE . 76.4 t90 -35.55 -50.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.513 ' SG ' HD11 ' A' ' 46' ' ' ILE . 34.2 t -67.22 -67.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -42.0 -27.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.84 -56.38 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 17' ' ' TRP . 2.9 m -67.04 -16.47 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.483 ' HB ' HG11 ' A' ' 28' ' ' VAL . 72.5 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG11 ' HB ' ' A' ' 22' ' ' THR . 12.2 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.891 0.377 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.88 127.8 31.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.401 HG22 ' CD1' ' A' ' 15' ' ' LEU . 5.3 mp -113.05 86.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.655 HG23 ' ND2' ' A' ' 32' ' ' ASN . 9.5 t -93.86 -30.79 14.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.655 ' ND2' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -148.7 145.94 27.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 105' ' ' LEU . 38.2 m-85 -80.37 39.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 32.0 p -128.84 -68.61 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -86.67 -38.11 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 48.9 m -46.33 -28.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.868 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 14.3 m95 -111.11 -22.19 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 94' ' ' ALA . 5.5 ttp180 -35.32 -57.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.496 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 8.8 p-10 -59.95 -55.56 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.42 -7.55 9.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 62' ' ' PRO . 15.2 mt -51.11 -55.04 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -54.59 -46.63 73.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 9.5 m-85 -53.13 -49.25 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 70.0 m -67.53 -44.7 77.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.98 -54.46 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.599 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 43.0 mt -51.54 -60.45 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.665 ' HG ' HD11 ' A' ' 55' ' ' ILE . 35.1 tp -57.83 -24.41 57.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -77.22 -33.55 56.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -59.52 -47.32 85.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CD2' ' CE2' ' A' ' 112' ' ' PHE . 2.0 m-85 -71.15 -38.71 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.81 ' HB2' HD12 ' A' ' 54' ' ' LEU . 6.0 mmt180 -144.95 105.38 4.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.858 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.6 5.42 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.302 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -108.4 -31.48 7.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.81 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.8 mt -47.73 -40.67 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.665 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -125.46 177.08 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.813 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.612 ' H ' HG22 ' A' ' 55' ' ' ILE . 2.7 t70 -108.21 30.12 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -53.92 -21.9 8.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -62.74 -24.23 67.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -130.94 28.72 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.1 mt -92.95 -174.84 3.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 41.5 m-20 -172.1 159.62 4.39 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.448 ' HB3' HD11 ' A' ' 41' ' ' LEU . 53.5 Cg_endo -69.85 3.17 2.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.93 -10.53 59.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.427 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 16.0 m-20 -114.6 113.55 24.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.1 mt -95.31 -52.4 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 15.4 ttpp -68.5 -55.4 11.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 3.0 tp10 -52.45 -67.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' GLU . 54.2 m-20 -35.33 -40.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.4 m-80 -75.43 -47.75 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' GLU . 18.4 ttpt -56.14 -40.96 74.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -53.89 -48.73 69.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.563 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -63.2 -63.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.442 ' CZ ' ' O ' ' A' ' 85' ' ' LEU . 22.6 m-85 -39.09 -35.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.33 -38.98 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -72.64 -60.69 3.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 46.3 m-85 -50.95 -49.79 59.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.08 -27.18 68.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 t -48.81 -32.85 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 76' ' ' PHE . 8.7 pt -93.8 -31.1 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.15 -23.69 0.59 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.543 HD13 HG13 ' A' ' 108' ' ' ILE . 97.4 mt -57.37 90.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.3 m -47.04 171.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.45 106.16 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.65 HD13 ' HD1' ' A' ' 104' ' ' TYR . 6.9 mp -88.25 -36.38 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.446 HD22 HG22 ' A' ' 101' ' ' VAL . 15.7 tp -105.07 140.44 38.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -99.21 148.32 34.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.403 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.77 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.472 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 90.7 p -53.63 -55.44 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.438 ' HA ' HD12 ' A' ' 92' ' ' LEU . 5.4 m-20 -38.59 -47.98 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.9 mmt -50.78 -45.54 59.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.69 -46.89 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 89' ' ' ASP . 29.2 mt -55.38 -69.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.96 147.2 48.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.422 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -69.31 -48.03 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.2 mm -128.42 123.35 22.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.488 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.7 Cg_endo -69.76 151.01 68.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.317 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.79 109.97 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -49.16 -44.69 43.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.37 -51.88 66.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.5 m -57.51 -55.59 32.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.446 HG22 HD22 ' A' ' 85' ' ' LEU . 87.9 t -53.27 -61.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.4 mtp -46.57 -41.7 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.7 m -56.78 -54.33 47.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.65 ' HD1' HD13 ' A' ' 84' ' ' LEU . 17.3 t80 -53.94 -58.85 5.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.868 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.1 mt -42.72 -57.31 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' LEU . 19.1 m-85 -36.84 -34.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 105' ' ' LEU . 65.8 mm-40 -65.75 -56.59 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.3 mp -57.56 -62.46 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.421 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 22.9 ttt180 -47.87 -36.06 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.14 -31.77 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -67.4 -48.91 65.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.701 ' CE2' ' CD2' ' A' ' 50' ' ' PHE . 36.6 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m -92.94 143.93 25.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -147.64 113.23 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.82 77.5 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m 41.2 43.81 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -105.69 81.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.49 74.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 110.23 2.52 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.653 2.235 . . . . 0.0 112.299 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 9' ' ' ASN . 2.3 p30 -142.21 143.65 33.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.96 165.49 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.6 p -85.35 -56.7 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.2 tm0? -58.49 -46.56 86.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' OE1' ' A' ' 12' ' ' GLN . 9.3 t -43.81 -48.83 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' VAL . 32.0 tp -65.72 -68.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' CD1' HG22 ' A' ' 30' ' ' ILE . 4.9 tp -37.57 -30.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 12' ' ' GLN . 89.5 t -81.22 -49.38 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.402 ' O ' HG13 ' A' ' 21' ' ' VAL . 83.1 t90 -48.3 -44.31 33.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' SG ' HG21 ' A' ' 30' ' ' ILE . 8.8 p -71.28 -45.52 62.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG3' HD13 ' A' ' 30' ' ' ILE . 39.1 mtpt -65.24 -22.33 66.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -75.27 -61.77 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.481 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.4 m -58.36 -18.9 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.777 ' HB ' HG11 ' A' ' 28' ' ' VAL . 77.9 p -111.54 19.79 17.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -62.48 -38.17 88.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -102.28 46.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.538 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 7.9 m-85 -119.64 170.78 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.436 ' N ' ' HD3' ' A' ' 26' ' ' ARG . 1.7 mpp_? -114.96 127.7 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.18 30.02 63.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.529 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.777 HG11 ' HB ' ' A' ' 22' ' ' THR . 56.2 t -114.88 91.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 31' ' ' THR . 19.5 tttp -121.51 86.84 2.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.1 mp -64.96 73.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' LYS . 32.8 p -79.98 -38.79 31.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.6 OUTLIER -136.59 165.49 25.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 34.1 m-85 -101.88 6.92 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.424 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 25.3 p -107.32 -60.81 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 38' ' ' ARG . 22.2 p -80.94 -54.06 5.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' ASN . 1.8 t -37.34 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.756 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 16.0 m95 -106.7 -21.51 13.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 65' ' ' ILE . 27.9 ttp180 -37.53 -49.09 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 p30 -73.57 -51.33 17.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.37 34.48 1.1 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 41' ' ' LEU . 14.6 mt -81.8 -61.7 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.518 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 50.7 m -53.34 -33.89 55.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -62.06 -43.09 99.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.3 m -78.85 -34.37 45.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -61.24 -47.24 86.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.62 -59.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 55' ' ' ILE . 35.7 tp -54.81 -28.75 51.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 53.9 t-80 -73.93 -29.69 62.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.481 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 25.1 t60 -59.17 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -75.47 -52.62 10.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HB2' HD12 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -127.68 88.1 54.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.583 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -5.05 15.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.226 . . . . 0.0 112.382 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.52 17.33 23.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -104.12 -35.53 8.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.681 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -118.88 -179.11 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.681 ' H ' HG22 ' A' ' 55' ' ' ILE . 4.3 m-20 -111.83 25.43 11.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 23.2 t80 -50.13 -20.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -60.55 -32.47 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -129.22 34.0 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.7 mt -91.81 -175.06 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.7 m120 -173.35 159.71 3.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 3.26 2.87 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.623 2.215 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.45 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.6 pp0? -80.37 -7.72 59.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 14.9 m-20 -117.48 113.59 22.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 38' ' ' ARG . 70.8 mt -96.65 -48.13 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -69.66 -56.12 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' ASN . 2.3 tp10 -54.08 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' GLU . 73.3 m-20 -34.35 -41.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 2.4 m-80 -73.08 -52.79 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -52.32 -48.34 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HE2' HD21 ' A' ' 60' ' ' LEU . 20.1 mtpp -50.26 -45.56 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.98 -67.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.491 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 8.4 m-85 -43.23 -32.17 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -68.02 -42.7 80.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 78' ' ' SER . . . -79.95 -54.93 3.7 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -52.13 -53.64 40.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -65.99 -8.06 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 2.5 t -72.67 -35.79 67.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.681 HD12 ' CE1' ' A' ' 111' ' ' HIS . 11.2 pt -84.42 -23.74 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.48 27.88 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.641 ' CD1' HD11 ' A' ' 79' ' ' ILE . 96.4 mt -99.6 95.91 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.6 m -44.19 138.87 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.06 128.41 35.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 104' ' ' TYR . 43.4 mt -113.2 -40.54 3.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 tp -96.54 150.97 20.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -110.85 146.07 33.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.14 2.79 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 p -61.73 -53.04 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.735 ' HA ' HD12 ' A' ' 92' ' ' LEU . 19.2 m-20 -37.84 -55.78 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mmt -42.56 -40.74 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 t -79.5 -41.91 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 89' ' ' ASP . 38.3 mt -53.08 -27.48 20.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.31 -174.9 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.43 -66.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.109 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.2 mm -107.1 128.06 26.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.424 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.0 Cg_endo -69.76 -178.53 2.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -92.51 107.31 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -48.32 -43.74 33.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.12 -48.89 79.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.7 m -62.28 -62.56 1.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.3 t -42.67 -62.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.6 mtp -44.56 -47.15 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.8 m -52.27 -53.73 40.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.615 ' O ' HD12 ' A' ' 108' ' ' ILE . 25.1 t80 -59.28 -46.11 89.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.756 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 13.7 mt -52.36 -56.87 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -41.38 -43.1 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -53.78 -60.18 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.799 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.1 mp -50.82 -55.83 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 -54.4 -34.05 60.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.37 64.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.681 ' CE1' HD12 ' A' ' 79' ' ' ILE . 20.4 t-80 -49.34 -62.18 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -60.99 -44.68 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.4 t -113.97 94.85 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.3 t -42.37 153.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 176.98 -87.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 137.56 35.57 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.64 2.226 . . . . 0.0 112.355 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.6 t -126.45 84.53 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.7 m -80.47 139.65 36.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -120.36 107.1 12.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -40.36 -57.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.97 -156.45 28.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 m -104.56 97.72 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -88.1 -48.11 7.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.29 -164.73 25.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 93.05 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.316 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -94.18 159.24 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.33 93.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m 39.07 42.97 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.882 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.6 tt0 -123.34 -33.39 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.7 p -63.9 -40.54 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 105' ' ' LEU . 14.3 tp -57.07 -61.36 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 3.5 tp -53.9 -20.96 6.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 12' ' ' GLN . 49.7 t -90.91 -32.0 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.527 ' O ' HG13 ' A' ' 21' ' ' VAL . 78.7 t90 -65.27 -45.23 85.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.625 ' SG ' HG21 ' A' ' 30' ' ' ILE . 8.5 p -72.06 -31.52 66.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 19.5 mtpt -80.64 -30.01 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -69.23 -49.83 52.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG23 HG23 ' A' ' 22' ' ' THR . 4.5 m -67.94 -25.35 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.67 ' CB ' HG11 ' A' ' 28' ' ' VAL . 38.1 p -107.71 22.25 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -61.98 -35.45 78.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -105.93 47.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 7.3 m-85 -119.53 179.57 4.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -122.76 126.5 47.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.25 60.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.67 HG11 ' CB ' ' A' ' 22' ' ' THR . 61.9 t -119.14 87.9 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.374 . . . . 0.0 111.122 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -119.58 85.8 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.625 HG21 ' SG ' ' A' ' 18' ' ' CYS . 5.3 mp -68.84 74.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -81.59 -30.66 32.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -137.57 -179.51 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.512 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 27.5 m-85 -117.51 24.88 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 35.0 p -124.7 -71.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.662 ' CG2' HD12 ' A' ' 95' ' ' ILE . 77.2 p -75.12 -47.73 27.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 t -44.71 -22.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.68 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 55.5 m95 -110.83 -25.08 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -37.85 -48.66 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -67.04 -46.24 75.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 105.67 29.4 5.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.75 -61.29 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.565 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 74.1 m -50.92 -32.61 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -64.32 -46.2 84.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.0 m -75.01 -37.02 61.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.705 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -60.47 -47.33 86.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 42' ' ' SER . 21.6 mt -57.74 -59.47 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.632 HD21 ' HA3' ' A' ' 75' ' ' GLY . 27.7 tp -57.7 -25.79 60.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 65.1 t-80 -81.64 -21.14 38.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -66.21 -59.33 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.441 ' CE2' ' CD2' ' A' ' 112' ' ' PHE . 19.2 m-85 -72.1 -42.04 66.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tpm_? -134.15 83.51 44.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.511 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.78 -0.81 7.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -100.74 14.35 31.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.433 ' HG ' ' CG ' ' A' ' 51' ' ' ARG . 32.9 mt -106.1 -27.42 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.721 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -127.7 -176.11 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.721 ' H ' HG22 ' A' ' 55' ' ' ILE . 22.8 t70 -117.33 26.68 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.705 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 13.7 t80 -51.08 -20.01 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -61.58 -31.02 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.4 t -130.63 33.95 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.875 HD11 ' HE3' ' A' ' 71' ' ' LYS . 10.3 mt -91.34 -177.69 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -166.53 160.05 11.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 3.28 2.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 63' ' ' GLN . 1.8 pp0? -80.25 -11.75 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -112.04 113.49 25.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.0 mt -102.14 -54.47 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HB2' HG21 ' A' ' 91' ' ' VAL . 1.1 ttmp? -71.86 -33.98 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HG2' ' HZ3' ' A' ' 71' ' ' LYS . 15.2 tt0 -73.43 -61.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.426 ' HA ' ' NZ ' ' A' ' 71' ' ' LYS . 35.5 m-20 -40.5 -51.05 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.575 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.7 m-80 -61.39 -57.95 10.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -43.02 -46.82 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.875 ' HE3' HD11 ' A' ' 60' ' ' LEU . 28.6 mtmm -51.78 -57.79 8.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -51.8 -63.87 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 13.5 m-85 -38.22 -29.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' ALA . 7.9 t70 -77.16 -45.15 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.632 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -71.79 -39.1 60.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 27.5 m-85 -74.62 -46.03 41.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -68.61 -23.4 64.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -58.68 -44.18 90.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 81' ' ' ILE . 11.2 pt -72.93 -35.53 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.29 40.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.697 ' CD1' HD11 ' A' ' 79' ' ' ILE . 64.5 mt -111.23 94.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ILE . 24.8 m -37.38 135.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -86.8 104.6 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 104' ' ' TYR . 59.8 mt -85.35 -53.73 5.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.62 HD22 HG22 ' A' ' 101' ' ' VAL . 11.0 tp -83.94 147.76 27.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -109.15 148.47 38.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.77 -46.66 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.0 t -63.99 -60.33 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -34.44 -46.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.497 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 5.8 mmm -51.51 -46.32 63.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.488 HG21 ' HB2' ' A' ' 66' ' ' LYS . 25.9 t -67.63 -46.75 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 89' ' ' ASP . 74.8 mt -48.01 -63.96 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.476 ' C ' HD12 ' A' ' 93' ' ' LEU . 4.7 pp -79.75 174.83 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.33 -63.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.662 HD12 ' CG2' ' A' ' 35' ' ' THR . 43.7 mm -114.53 128.78 25.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.4 Cg_endo -69.73 152.23 69.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.381 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.35 99.93 1.28 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.415 ' HB2' ' CG2' ' A' ' 34' ' ' THR . 26.1 ttpt -39.28 -47.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 74.2 mt -51.13 -51.11 56.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 101' ' ' VAL . 27.5 m -58.6 -72.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.62 HG22 HD22 ' A' ' 85' ' ' LEU . 95.4 t -36.75 -58.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.9 mtp -46.26 -49.1 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.3 m -54.21 -33.65 58.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 108' ' ' ILE . 27.1 t80 -76.56 -44.45 34.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.68 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 16.6 mt -53.74 -51.29 63.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -47.17 -36.99 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -61.92 -61.37 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.795 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.1 mp -53.47 -57.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.413 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -53.47 -34.75 59.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.15 -56.1 10.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -56.87 -52.16 66.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.441 ' CD2' ' CE2' ' A' ' 50' ' ' PHE . 10.3 m-85 -62.59 -42.34 99.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 t -138.42 138.9 38.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 t -98.04 171.77 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -84.13 -107.63 0.58 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.78 67.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 77.8 p -75.03 84.29 2.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 84.8 p -79.02 48.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.531 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.2 p -109.06 134.4 51.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -50.24 -44.45 53.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.29 151.02 9.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 m -73.87 -45.61 49.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -94.85 87.05 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.05 83.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.46 12.04 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -57.41 -58.75 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.87 144.08 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -81.89 7.34 13.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -88.69 -46.34 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 m -45.27 -37.95 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.9 tp -60.96 -66.91 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -42.15 -42.69 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.79 -48.86 68.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.486 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 86.6 t90 -45.47 -48.25 13.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.514 ' O ' HG22 ' A' ' 21' ' ' VAL . 7.4 m -64.74 -67.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -43.76 -24.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.35 -57.68 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.661 HG23 HG23 ' A' ' 22' ' ' THR . 6.3 m -60.82 -25.33 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.786 ' HB ' HG11 ' A' ' 28' ' ' VAL . 65.1 p -110.11 23.38 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -66.09 -29.07 69.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -110.06 46.54 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.554 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 8.8 m-85 -119.8 177.62 4.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.6 126.4 52.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.83 32.13 77.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.786 HG11 ' HB ' ' A' ' 22' ' ' THR . 57.7 t -113.74 89.56 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' CG ' HG23 ' A' ' 31' ' ' THR . 2.7 tppp? -121.71 108.43 13.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mp -93.25 75.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.481 HG23 ' CG ' ' A' ' 29' ' ' LYS . 3.3 p -79.42 -29.41 41.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -139.5 179.64 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 35.3 m-85 -118.4 23.12 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 96' ' ' PRO . 23.5 p -117.44 -73.31 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.3 p -80.66 -40.26 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 t -45.72 -26.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.748 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 28.4 m95 -110.35 -21.01 12.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.49 ' NH1' HD13 ' A' ' 65' ' ' ILE . 15.2 ttt-85 -39.82 -44.93 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -68.99 -52.39 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.1 30.65 2.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 mt -81.67 -66.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.438 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 53.2 m -46.52 -39.96 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 15.1 m-85 -56.82 -56.08 26.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.6 m -65.29 -37.32 86.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -60.78 -47.2 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.556 HG12 HG21 ' A' ' 21' ' ' VAL . 62.6 mt -55.93 -59.41 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.499 ' HG ' HD11 ' A' ' 55' ' ' ILE . 40.4 tp -53.67 -31.07 46.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 33.9 t-80 -74.53 -34.03 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 32.6 t60 -53.84 -47.71 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -76.89 -44.53 31.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.821 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.9 mmt180 -133.12 96.95 17.02 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.606 0.717 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 3.53 2.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -120.87 28.36 7.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.821 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -109.98 -37.21 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.728 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -122.3 -177.18 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' ILE . 27.7 m-20 -113.86 29.61 7.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 20.1 t80 -54.32 -26.13 27.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -61.77 -20.66 63.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -132.09 26.61 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.9 mt -92.47 -175.15 3.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 41.2 m-20 -171.49 159.62 4.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 2.97 3.1 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.84 -8.33 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.42 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 10.5 m-20 -116.57 112.68 21.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.49 HD13 ' NH1' ' A' ' 38' ' ' ARG . 14.3 mt -95.8 -48.3 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.593 ' HB2' HG21 ' A' ' 91' ' ' VAL . 1.3 ttmp? -75.52 -49.86 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' ASN . 11.5 tt0 -58.92 -65.06 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' GLU . 29.8 m-20 -34.93 -56.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.498 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 17.1 m-80 -59.89 -48.24 82.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -52.41 -44.84 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -47.42 -55.59 8.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -58.13 -65.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 19.6 m-85 -34.63 -48.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -57.82 -45.86 85.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -73.49 -55.93 5.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.555 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 18.8 m-85 -50.27 -52.15 38.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.84 -7.54 28.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 4.0 t -74.31 -38.14 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.446 HD12 ' NE2' ' A' ' 111' ' ' HIS . 6.2 pt -83.39 -29.27 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.06 32.17 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.3 mt -105.92 102.08 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.147 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.2 m -56.68 111.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -67.8 102.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 104' ' ' TYR . 62.5 mt -78.24 -48.41 15.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.44 HD21 ' CE ' ' A' ' 90' ' ' MET . 18.1 tp -83.31 154.8 23.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -112.79 144.7 31.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.711 0.767 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.1 Cg_endo -69.81 -46.44 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.298 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.3 m -60.09 -48.01 83.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -43.62 -49.98 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.44 ' CE ' HD21 ' A' ' 85' ' ' LEU . 3.7 mmt -46.95 -38.22 10.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.593 HG21 ' HB2' ' A' ' 66' ' ' LYS . 33.6 t -79.83 -45.9 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.5 mt -48.86 -60.48 2.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.2 pp -88.39 -178.78 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.429 ' N ' HD12 ' A' ' 93' ' ' LEU . . . -96.42 -65.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.463 ' O ' HD13 ' A' ' 93' ' ' LEU . 36.4 mm -109.38 125.07 32.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.401 ' HG3' ' O ' ' A' ' 34' ' ' THR . 53.7 Cg_endo -69.81 159.08 54.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.375 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LYS . 0.7 OUTLIER -79.99 98.45 7.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 97' ' ' ASP . 23.0 ttpt -35.62 -54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.4 mt -44.56 -48.3 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.0 m -63.4 -62.0 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.9 t -47.79 -61.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 24.9 mtp -42.56 -47.34 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.6 m -54.47 -54.43 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.512 ' HA ' HD12 ' A' ' 84' ' ' LEU . 39.5 t80 -53.88 -54.32 40.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.748 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 17.6 mt -42.81 -60.58 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -38.43 -37.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -59.81 -55.26 36.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -58.08 -58.88 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.486 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.42 -41.03 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.89 -46.01 79.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.446 ' NE2' HD12 ' A' ' 79' ' ' ILE . 41.3 t60 -47.21 -60.68 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.62 -49.14 56.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.3 t -102.16 103.54 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -56.1 165.16 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.7 -157.48 1.18 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.0 7.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.6 m -102.2 135.35 43.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.8 t -97.04 96.99 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.457 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -101.52 109.16 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 p -73.65 -47.65 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.15 -106.58 0.91 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -94.6 126.82 40.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -60.52 130.29 45.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.32 131.27 2.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' ASN . 53.8 Cg_endo -69.79 -0.74 7.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' PRO . 2.8 t30 -34.81 -46.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.63 136.0 37.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' GLN . 49.2 p -53.82 -52.82 59.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.6 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.2 tp-100 -34.64 -41.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 t -42.19 -50.52 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.65 -59.92 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -38.85 -41.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 12' ' ' GLN . 37.6 t -68.84 -56.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 78.7 t90 -41.91 -49.06 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 m -61.24 -48.76 79.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -65.28 -24.66 67.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.46 -60.29 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.572 HG23 HG23 ' A' ' 22' ' ' THR . 3.8 m -58.22 -18.52 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.747 ' HB ' HG11 ' A' ' 28' ' ' VAL . 68.6 p -114.51 20.67 15.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -66.75 -27.99 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -108.02 39.85 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.511 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 12.3 m-85 -118.39 -179.65 3.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' N ' ' HD3' ' A' ' 26' ' ' ARG . 2.0 mpp_? -122.03 134.21 54.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.76 37.74 95.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.537 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.747 HG11 ' HB ' ' A' ' 22' ' ' THR . 75.6 t -118.78 86.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.093 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -117.13 103.18 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -84.62 58.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 48.3 p -71.26 -27.35 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -140.01 171.14 14.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -114.5 34.57 4.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.512 ' HB ' HG23 ' A' ' 95' ' ' ILE . 20.8 p -131.59 -67.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 37' ' ' TRP . 63.5 p -80.47 -49.2 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -38.89 -27.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.848 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 26.9 m95 -107.33 -26.95 10.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.607 ' NH1' HD13 ' A' ' 65' ' ' ILE . 23.6 ttp85 -35.76 -49.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -66.43 -46.78 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.79 29.36 4.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -80.85 -68.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.587 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.2 m -43.63 -37.78 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.44 -54.85 41.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.9 m -66.79 -35.97 81.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.636 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -62.33 -49.15 76.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.521 HG12 HG21 ' A' ' 21' ' ' VAL . 73.0 mt -55.84 -54.71 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 44.5 tp -62.0 -24.7 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -79.83 -30.65 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.477 ' N ' ' HH ' ' A' ' 25' ' ' TYR . 38.6 t60 -55.12 -62.44 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -61.01 -51.94 67.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.596 ' HB3' HD12 ' A' ' 54' ' ' LEU . 14.2 tpp180 -129.4 93.28 36.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.9 Cg_endo -69.77 2.97 3.06 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -112.9 28.6 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 51' ' ' ARG . 13.1 mt -114.01 -34.15 5.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.744 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.35 -176.4 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.744 ' H ' HG22 ' A' ' 55' ' ' ILE . 2.6 m-20 -112.78 28.98 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.636 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 23.3 t80 -55.79 -18.48 8.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -68.88 -21.05 64.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -132.76 23.6 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.523 HD21 ' NZ ' ' A' ' 71' ' ' LYS . 9.4 mt -86.78 -174.94 5.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 37.9 m-20 -171.63 159.91 4.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.29 2.85 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.737 2.292 . . . . 0.0 112.328 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' OE1' ' C ' ' A' ' 63' ' ' GLN . 1.7 pp0? -80.13 -11.47 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -112.05 114.23 26.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.607 HD13 ' NH1' ' A' ' 38' ' ' ARG . 18.5 mt -100.39 -44.13 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' HB2' HG21 ' A' ' 91' ' ' VAL . 13.9 ttpt -79.34 -42.75 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 68' ' ' ASN . 4.5 tp10 -66.55 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' GLU . 21.3 m-20 -35.59 -53.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.1 m-80 -62.28 -47.32 84.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -53.33 -47.18 69.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.523 ' NZ ' HD21 ' A' ' 60' ' ' LEU . 29.0 mttt -47.85 -59.53 3.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.813 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -48.48 -71.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' ALA . 7.9 m-85 -34.07 -51.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -51.96 -46.22 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.89 -54.32 4.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.813 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 29.0 m-85 -49.84 -56.12 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.46 -8.56 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.051 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 3.2 t -74.31 -37.46 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.483 HD11 HD11 ' A' ' 81' ' ' ILE . 6.1 pt -83.45 -31.36 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.7 35.83 0.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.483 HD11 HD11 ' A' ' 79' ' ' ILE . 16.8 mt -109.47 93.63 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.7 p -44.27 129.64 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.22 124.5 28.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 104' ' ' TYR . 53.4 mt -107.43 -50.82 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.7 tp -90.2 147.62 23.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -102.28 145.85 31.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.732 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.42 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.3 Cg_endo -69.78 -43.22 2.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.64 2.227 . . . . 0.0 112.337 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.42 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . 88.2 p -67.06 -50.87 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.721 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.5 m-20 -36.67 -47.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.2 mmt -50.13 -47.84 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 66' ' ' LYS . 23.8 t -68.17 -49.34 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 89' ' ' ASP . 61.1 mt -41.94 -59.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.647 ' C ' HD12 ' A' ' 93' ' ' LEU . 1.1 pp -95.06 -179.43 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.42 -67.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.512 HG23 ' HB ' ' A' ' 34' ' ' THR . 28.5 mm -111.08 130.31 23.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.623 0.725 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.18 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.242 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 98' ' ' LYS . 23.8 m-20 -100.03 98.17 8.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 97' ' ' ASP . 16.6 tttp -34.33 -54.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.2 mt -51.11 -54.58 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 98.7 m -53.56 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.6 t -43.27 -60.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.8 mtp -47.93 -47.14 32.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.3 m -51.01 -51.68 50.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.492 ' HA ' HD12 ' A' ' 84' ' ' LEU . 14.5 t80 -59.9 -50.24 74.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.848 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 12.2 mt -47.06 -59.61 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 105' ' ' LEU . 21.9 m-85 -37.57 -43.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -53.87 -60.66 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.657 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -48.17 -53.4 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 31.9 ttt-85 -60.79 -36.85 80.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.51 84.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -52.96 -61.58 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -66.19 -59.48 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 t -89.89 124.91 35.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 p -81.98 93.11 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.44 -84.99 1.64 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.02 69.25 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.2 m -97.12 154.92 17.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.0 t -104.69 -56.12 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 m -51.74 157.38 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 p -124.11 -4.19 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.01 127.52 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -44.07 -44.58 7.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 0.0 110.823 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 p -123.34 157.51 33.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.88 78.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -1.17 8.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 1.0 OUTLIER -71.42 67.94 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB3' ' OG ' ' A' ' 13' ' ' SER . . . -174.32 127.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.4 p -52.6 -43.85 65.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 16' ' ' VAL . 28.7 tt0 -62.91 -54.62 35.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' HB3' ' A' ' 10' ' ' ALA . 68.3 m -36.3 -70.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.92 HD22 ' CE1' ' A' ' 106' ' ' TYR . 47.2 tp -44.85 -53.04 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -52.16 -33.16 39.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 12' ' ' GLN . 60.4 t -76.54 -46.28 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.526 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 75.0 t90 -48.68 -45.78 39.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.493 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.8 m -71.05 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -48.9 -26.21 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -73.12 -56.86 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.63 HG23 HG23 ' A' ' 22' ' ' THR . 14.1 m -62.52 -23.34 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.723 ' HB ' HG11 ' A' ' 28' ' ' VAL . 32.7 p -109.44 24.13 13.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -64.52 -33.38 75.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -114.48 56.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 5.5 m-85 -122.1 173.78 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 -112.3 111.29 22.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.11 48.17 8.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.723 HG11 ' HB ' ' A' ' 22' ' ' THR . 71.3 t -130.66 88.37 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 111.155 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -119.0 93.33 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -73.35 67.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m -80.71 -18.73 46.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -143.12 179.97 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CD1' ' SD ' ' A' ' 102' ' ' MET . 25.8 m-85 -124.9 22.07 8.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.0 p -126.76 -70.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.3 p -74.93 -46.28 36.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -45.16 -25.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.488 ' CH2' HD21 ' A' ' 105' ' ' LEU . 56.4 m95 -106.45 -24.72 12.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.482 ' NH1' HD13 ' A' ' 65' ' ' ILE . 19.5 ttp85 -37.05 -53.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -61.67 -42.82 99.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.02 33.24 4.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -87.02 -65.88 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.483 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 58.5 m -49.68 -27.4 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -69.66 -49.1 56.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.6 m -72.2 -40.75 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -51.09 -54.91 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.051 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.429 HG12 HG21 ' A' ' 21' ' ' VAL . 30.9 mt -48.68 -65.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.574 ' HG ' HD11 ' A' ' 55' ' ' ILE . 35.9 tp -50.58 -26.59 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.489 ' CG ' ' HA ' ' A' ' 52' ' ' PRO . 16.1 t60 -74.69 -36.72 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 10.0 t60 -50.29 -55.55 14.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.54 -43.47 63.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.3 mmp_? -134.97 93.43 17.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.489 ' HA ' ' CG ' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 3.29 2.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -108.69 -28.43 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.6 mt -53.31 -34.44 57.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.73 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -122.65 -177.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.73 ' H ' HG22 ' A' ' 55' ' ' ILE . 27.3 t70 -115.3 27.44 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 13.4 t80 -54.16 -20.31 6.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -63.55 -23.24 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.2 t -134.4 30.3 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.485 HD21 ' HE3' ' A' ' 71' ' ' LYS . 10.1 mt -92.21 -174.83 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 40.4 m-20 -173.33 159.75 3.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.39 2.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.6 pp0? -81.08 -5.37 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 9.5 m-20 -120.38 113.3 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.482 HD13 ' NH1' ' A' ' 38' ' ' ARG . 15.8 mt -97.83 -46.77 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -74.88 -48.46 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 37.7 tt0 -61.34 -65.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' GLU . 17.3 m-20 -35.19 -55.42 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.411 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.9 m-80 -61.33 -46.23 91.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -55.03 -38.27 67.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.485 ' HE3' HD21 ' A' ' 60' ' ' LEU . 11.5 mttm -52.28 -54.35 32.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.559 ' HB1' ' CD2' ' A' ' 76' ' ' PHE . . . -57.98 -64.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.107 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD2' ' HD3' ' A' ' 87' ' ' PRO . 16.3 m-85 -37.83 -28.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' ALA . 19.6 t70 -85.59 -41.66 15.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.44 -50.93 8.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 19.2 m-85 -58.31 -31.3 67.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.71 -4.2 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.4 m -71.59 -35.61 70.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.652 ' H ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -91.2 -36.22 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.52 42.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.8 mt -107.62 88.29 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.6 m -40.63 130.06 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -81.88 115.67 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.495 HD11 ' OE1' ' A' ' 107' ' ' GLN . 67.4 mt -98.4 -50.31 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD21 ' SD ' ' A' ' 90' ' ' MET . 19.9 tp -85.43 147.27 26.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -105.0 148.15 35.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.416 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.7 Cg_endo -69.79 -45.76 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.0 p -62.59 -41.63 99.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -48.36 -50.7 29.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.437 ' SD ' HD21 ' A' ' 85' ' ' LEU . 4.0 mmt -50.6 -28.02 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.4 t -87.72 -46.31 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.8 mt -47.49 -68.07 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.4 pp -81.89 176.16 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.21 -64.19 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.441 ' O ' HD13 ' A' ' 93' ' ' LEU . 4.8 mm -112.94 125.78 29.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.23 19.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 100' ' ' THR . 5.9 m-20 -83.79 96.2 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 97' ' ' ASP . 21.7 tttt -34.33 -41.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.3 -49.95 74.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 103' ' ' THR . 89.6 m -59.32 -73.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' THR . 98.0 t -34.42 -56.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.568 ' SD ' HD23 ' A' ' 14' ' ' LEU . 26.1 mmm -52.29 -42.65 63.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 100' ' ' THR . 97.9 m -57.64 -38.46 75.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -73.01 -43.49 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.488 HD21 ' CH2' ' A' ' 37' ' ' TRP . 14.1 mt -52.21 -55.26 22.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.92 ' CE1' HD22 ' A' ' 14' ' ' LEU . 23.8 m-85 -41.73 -34.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.495 ' OE1' HD11 ' A' ' 84' ' ' LEU . 6.8 mt-30 -63.14 -59.16 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.0 mp -51.09 -58.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.526 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 9.2 ttt-85 -55.08 -39.41 69.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.12 -51.84 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -51.71 -67.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -56.04 -50.24 71.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -104.15 96.19 6.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.7 p -39.7 129.04 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.43 -147.23 4.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 90.73 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.353 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.2 t -161.95 124.74 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.2 t -45.12 -59.07 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -130.67 -55.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -65.33 114.95 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.03 107.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -162.02 145.37 11.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -140.82 152.39 45.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.13 145.57 17.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.535 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -0.4 6.9 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -41.79 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.07 174.67 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -86.55 11.23 13.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.707 ' O ' HG23 ' A' ' 16' ' ' VAL . 35.9 tp60 -76.2 -43.24 43.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -52.7 -50.56 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 106' ' ' TYR . 31.3 tp -58.86 -65.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' CD1' HG22 ' A' ' 30' ' ' ILE . 7.7 tp -39.38 -42.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 12' ' ' GLN . 31.2 t -76.74 -35.13 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.571 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 41.8 t90 -45.29 -49.07 12.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.625 ' SG ' HD11 ' A' ' 30' ' ' ILE . 52.6 t -69.62 -56.04 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.922 ' HG3' HD13 ' A' ' 30' ' ' ILE . 8.1 mtpm? -52.57 -17.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -81.37 -56.71 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.5 m -68.91 -20.6 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.567 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 44.0 p -105.56 25.84 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -72.42 -33.11 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -102.74 42.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.567 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 17.1 m-85 -119.02 176.21 5.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -122.63 111.07 16.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.75 44.74 7.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 22' ' ' THR . 32.5 t -128.99 96.2 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.102 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -120.37 143.91 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.922 HD13 ' HG3' ' A' ' 19' ' ' LYS . 5.2 mp -118.57 56.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.5 m -74.19 -17.61 60.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.172 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -145.79 176.26 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CE1' HD13 ' A' ' 105' ' ' LEU . 8.5 m-85 -120.99 24.67 10.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.453 HG22 ' HG2' ' A' ' 96' ' ' PRO . 0.7 OUTLIER -134.5 -69.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.5 p -74.5 -31.45 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -61.36 -29.12 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 22.9 m95 -107.09 -18.49 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.1 ttt-85 -37.93 -49.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -64.82 -55.3 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.7 26.55 2.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -78.85 -69.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.541 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 63.4 m -43.32 -33.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 9.4 m-85 -65.51 -54.02 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.7 m -65.78 -39.31 90.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.54 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -59.91 -47.07 87.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mt -56.94 -53.1 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.61 HD21 ' HA3' ' A' ' 75' ' ' GLY . 44.6 tp -63.68 -29.39 70.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -74.52 -33.99 62.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 72.7 t60 -52.95 -60.59 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -61.81 -51.17 69.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.637 ' HB3' HD12 ' A' ' 54' ' ' LEU . 8.2 tpp180 -132.84 94.54 21.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.822 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.8 Cg_endo -69.77 0.58 5.45 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -107.58 20.26 19.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 51' ' ' ARG . 12.4 mt -107.52 -34.6 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.683 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -122.25 -179.61 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.683 ' H ' HG22 ' A' ' 55' ' ' ILE . 5.2 t0 -112.33 31.31 6.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 12.0 t80 -56.81 -21.32 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -64.33 -20.35 66.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -133.85 25.79 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.6 mt -89.3 -174.64 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 36.1 m-20 -173.68 160.21 3.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.83 2.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.421 ' C ' ' CD ' ' A' ' 63' ' ' GLN . 1.5 pp0? -82.35 -4.79 57.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -119.65 113.64 20.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 ' HA ' ' A' ' 39' ' ' ASN . 26.9 mt -98.7 -43.72 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 21.8 ttpt -76.9 -51.99 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 68' ' ' ASN . 3.7 tp10 -56.54 -66.23 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 67' ' ' GLU . 53.3 m-20 -34.37 -49.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.2 m-80 -62.99 -52.09 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -52.79 -44.68 66.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -49.0 -58.51 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -55.0 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.471 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 13.6 m-30 -37.85 -39.06 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.43 -42.08 83.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.61 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -74.39 -58.43 4.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 34.8 m-85 -52.7 -46.15 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -72.29 0.41 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -85.75 -32.54 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.59 HD12 ' NE2' ' A' ' 111' ' ' HIS . 4.1 pt -87.11 -30.84 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.17 33.71 0.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.505 HD13 HG13 ' A' ' 108' ' ' ILE . 36.3 mt -106.71 87.55 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.5 m -47.94 107.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 151.92 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 104' ' ' TYR . 33.2 mt -131.48 -49.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.532 HD22 HG22 ' A' ' 101' ' ' VAL . 13.0 tp -82.59 157.24 23.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 89' ' ' ASP . 15.9 mt-10 -106.84 142.78 25.72 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.635 0.731 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -43.41 2.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.442 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 59.9 p -68.53 -38.71 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.425 ' CG ' ' HB2' ' A' ' 86' ' ' GLU . 6.8 m-20 -49.05 -51.07 33.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -49.0 -19.57 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.418 HG21 ' HB2' ' A' ' 66' ' ' LYS . 24.8 t -99.82 -41.97 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.7 mt -51.06 -33.02 23.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.87 178.43 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.57 -66.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mm -107.72 128.74 25.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.453 ' HG2' HG22 ' A' ' 34' ' ' THR . 53.5 Cg_endo -69.8 -171.14 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.99 98.0 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -38.19 -39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.42 -54.16 44.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.416 ' CG2' HD13 ' A' ' 85' ' ' LEU . 4.1 m -57.77 -67.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.532 HG22 HD22 ' A' ' 85' ' ' LEU . 61.2 t -39.74 -60.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.3 mtp -42.99 -52.55 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.5 m -47.54 -44.79 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.556 ' HA ' HD12 ' A' ' 84' ' ' LEU . 11.3 t80 -67.39 -47.61 69.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.473 HD13 ' CE1' ' A' ' 33' ' ' PHE . 20.4 mt -51.32 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.451 ' CE1' HD22 ' A' ' 14' ' ' LEU . 43.7 m-85 -34.24 -40.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -60.02 -56.83 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.676 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.0 mp -53.66 -50.67 49.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.571 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 18.6 ttp180 -60.03 -39.1 84.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 114' ' ' SER . . . -66.34 -46.55 76.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.59 ' NE2' HD12 ' A' ' 79' ' ' ILE . 32.1 t60 -48.03 -50.54 27.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -80.47 -61.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.6 m -58.65 -58.63 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 110' ' ' ALA . 3.4 m 62.34 42.73 8.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.62 -172.93 55.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -19.1 36.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.629 2.219 . . . . 0.0 112.364 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.9 t -98.88 161.42 13.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 t -138.68 153.91 48.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -75.79 160.66 29.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -126.12 163.99 21.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.31 169.26 35.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -145.7 161.11 40.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -149.79 159.77 44.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.94 -158.03 10.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' ASN . 54.0 Cg_endo -69.72 2.87 3.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' PRO . 9.6 p-10 -34.29 -48.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.96 156.07 45.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' GLN . 83.6 p -49.06 -43.12 40.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' SER . 32.8 tt0 -35.79 -38.55 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 p -42.07 -68.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' TRP . 20.5 tp -41.45 -60.18 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -46.06 -30.24 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 12' ' ' GLN . 84.8 t -87.68 -26.76 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.54 ' O ' HG13 ' A' ' 21' ' ' VAL . 74.0 t90 -68.34 -38.45 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.53 ' SG ' HG21 ' A' ' 30' ' ' ILE . 16.6 p -75.92 -49.89 16.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -61.77 -16.15 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -81.55 -57.04 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 17' ' ' TRP . 2.0 m -65.86 -21.21 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.798 ' HB ' HG11 ' A' ' 28' ' ' VAL . 80.4 p -102.37 28.32 6.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -75.97 124.1 26.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.5 m120 68.51 40.31 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 4.4 m-85 -94.17 170.38 9.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -83.03 63.82 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 84.99 1.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.798 HG11 ' HB ' ' A' ' 22' ' ' THR . 60.9 t -147.36 107.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 130.91 50.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.53 HG21 ' SG ' ' A' ' 18' ' ' CYS . 5.2 mp -120.28 84.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.523 HG23 ' ND2' ' A' ' 32' ' ' ASN . 6.7 t -98.04 -24.13 15.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.523 ' ND2' HG23 ' A' ' 31' ' ' THR . 5.3 m-20 -146.52 164.09 33.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -105.41 40.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 96' ' ' PRO . 19.9 p -133.33 -74.41 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 95' ' ' ILE . 35.2 p -79.66 -39.66 30.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -45.25 -31.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 36.2 m95 -104.98 -21.16 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 65' ' ' ILE . 8.0 ttt-85 -40.13 -40.37 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 5.3 p-10 -74.94 -57.05 4.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.83 -22.56 4.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 mt -38.36 -54.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.585 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 51.9 m -59.24 -41.48 88.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.65 -51.13 70.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' ALA . 90.8 m -68.06 -59.44 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.619 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -34.53 -48.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.8 mt -55.27 -59.99 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.747 ' HG ' HD11 ' A' ' 55' ' ' ILE . 37.7 tp -56.36 -24.05 41.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 52' ' ' PRO . 15.3 t60 -75.5 -33.84 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.48 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 26.7 t60 -54.76 -47.3 74.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -73.36 -44.35 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 5.3 mmm180 -143.74 105.82 4.97 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.461 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 3.18 2.93 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.46 -42.3 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -41.72 -34.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.747 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -125.11 -175.8 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' ILE . 19.9 m-20 -117.79 26.73 9.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.619 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 15.9 t80 -52.38 -20.12 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -61.24 -26.42 67.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -133.3 33.3 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.7 mt -94.98 -175.42 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 39.5 m-20 -171.9 159.78 4.59 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.5 2.76 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.445 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -78.9 -17.42 55.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 18.3 m-20 -106.26 114.67 28.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.62 HG23 ' O ' ' A' ' 38' ' ' ARG . 39.7 mt -97.03 -48.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 20.1 ttpt -74.3 -51.52 14.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 68' ' ' ASN . 18.2 tt0 -57.08 -64.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' GLU . 36.0 m-20 -36.56 -50.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.2 m-80 -64.46 -47.5 78.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -54.55 -52.14 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -46.49 -37.77 8.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.723 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -69.9 -69.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.458 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 19.0 m-85 -35.78 -41.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -63.56 -45.1 92.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -71.7 -52.02 13.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.723 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 62.3 m-85 -60.42 -49.5 77.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -63.75 -12.07 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 t -67.24 -29.39 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.617 HD12 ' NE2' ' A' ' 111' ' ' HIS . 7.9 pt -95.71 -29.04 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.95 -23.71 0.9 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.496 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.626 HD13 HG13 ' A' ' 108' ' ' ILE . 95.5 mt -52.44 98.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -48.5 177.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 76.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 104' ' ' TYR . 0.6 OUTLIER -56.65 -52.39 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.456 HD21 ' SD ' ' A' ' 90' ' ' MET . 15.9 tp -104.39 160.0 15.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -111.59 149.26 40.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.458 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.4 Cg_endo -69.76 -46.97 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.474 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 90.4 p -64.25 -46.31 84.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.634 ' HA ' HD12 ' A' ' 92' ' ' LEU . 5.9 m-20 -45.01 -51.35 10.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.456 ' SD ' HD21 ' A' ' 85' ' ' LEU . 3.2 mmt -49.78 -30.38 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.462 HG21 ' HB2' ' A' ' 66' ' ' LYS . 3.3 t -86.73 -43.69 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 89' ' ' ASP . 76.7 mt -47.85 -46.41 31.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 93' ' ' LEU . 1.5 pp -103.9 167.79 9.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.03 -50.37 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 35' ' ' THR . 45.7 mm -124.13 127.25 25.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.4 ' HG3' ' O ' ' A' ' 34' ' ' THR . 54.1 Cg_endo -69.75 173.29 11.18 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 98' ' ' LYS . 21.3 m-20 -91.58 95.14 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' ASP . 7.1 tmtt? -34.42 -45.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.4 mt -53.92 -49.11 69.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' ASP . 98.3 m -65.78 -55.99 14.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.6 t -46.62 -64.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -41.27 -51.28 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.9 m -47.26 -52.97 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 84' ' ' LEU . 11.4 t80 -55.83 -59.77 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.61 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 31.6 mt -44.58 -56.19 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -42.32 -35.09 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -64.16 -49.97 70.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.626 HG13 HD13 ' A' ' 81' ' ' ILE . 4.3 mp -62.48 -58.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.465 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 6.0 ttt85 -47.2 -36.27 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.33 -41.46 56.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.617 ' NE2' HD12 ' A' ' 79' ' ' ILE . 4.2 t60 -51.57 -56.09 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -77.74 -49.64 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.5 t -111.17 88.28 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 m -59.12 159.95 6.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.47 -156.11 21.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 143.27 50.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.3 t -85.12 -52.77 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.9 m -62.49 164.44 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.416 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -151.96 136.04 16.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -79.3 128.11 32.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.21 140.68 3.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -156.75 151.68 26.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -104.66 161.21 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.87 172.71 30.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.59 45.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -142.26 179.42 6.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.92 158.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 m -39.64 -35.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' SER . 22.0 tt0 -42.04 -48.05 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' GLN . 81.8 p -35.97 -56.83 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 15' ' ' LEU . 24.8 tp -58.37 -62.53 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.0 tp -37.42 -39.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' TRP . 84.5 t -73.25 -53.59 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.525 ' CH2' HG22 ' A' ' 108' ' ' ILE . 61.6 t90 -34.35 -43.74 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.481 ' O ' HG22 ' A' ' 21' ' ' VAL . 50.4 t -73.29 -64.35 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -41.16 -36.7 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.5 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.544 ' O ' ' CZ ' ' A' ' 25' ' ' TYR . 4.4 m -54.54 -19.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.605 ' CB ' HG11 ' A' ' 28' ' ' VAL . 43.1 p -110.21 24.91 12.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.539 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 13.7 mmmt -54.95 120.57 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 50.59 54.98 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 2.6 m-85 -94.3 -175.47 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -81.06 84.08 6.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.44 62.53 4.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.605 HG11 ' CB ' ' A' ' 22' ' ' THR . 84.1 t -124.03 86.64 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -112.69 100.35 8.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -84.48 73.82 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.585 HG23 ' OD1' ' A' ' 32' ' ' ASN . 2.0 t -83.18 -28.94 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.585 ' OD1' HG23 ' A' ' 31' ' ' THR . 5.7 m120 -137.53 -179.38 5.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 8.2 m-85 -120.55 24.57 10.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 18.0 p -127.78 -62.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.445 ' CG2' HD12 ' A' ' 95' ' ' ILE . 81.7 p -82.03 -50.69 8.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -43.27 -28.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.616 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 43.7 m95 -103.58 -26.83 12.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' TRP . 24.1 ttt-85 -35.92 -52.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 p30 -62.3 -55.02 32.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.93 34.13 1.56 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 62' ' ' PRO . 71.3 mt -90.32 -39.56 12.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.578 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 61.4 m -70.35 -26.92 63.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 33.1 m-85 -74.08 -46.26 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.0 m -75.61 -31.42 59.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -64.88 -44.48 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.403 HG12 HG21 ' A' ' 21' ' ' VAL . 52.6 mt -58.15 -62.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.564 HD11 HD13 ' A' ' 54' ' ' LEU . 33.1 tp -52.26 -22.38 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -75.39 -45.68 37.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -44.84 -48.68 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -74.37 -49.96 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HB3' HD12 ' A' ' 54' ' ' LEU . 8.7 tpp180 -134.67 99.55 12.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.577 0.703 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.5 Cg_endo -69.77 3.42 2.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -104.49 -36.66 7.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' A' ' 51' ' ' ARG . 10.4 mt -45.83 -40.18 9.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.684 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -121.64 -175.09 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 55' ' ' ILE . 47.1 m-20 -117.67 28.09 8.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 35.6 t80 -51.48 -18.71 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -63.3 -31.17 72.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -128.3 31.75 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.3 mt -91.19 -175.84 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 39.3 m-20 -171.75 159.79 4.73 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.677 0.751 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.451 ' HB3' HD11 ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.75 2.95 3.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.69 -10.58 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 10.9 m-20 -113.42 112.62 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.5 mt -100.54 -45.81 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HB2' HG21 ' A' ' 91' ' ' VAL . 13.4 ttpt -75.6 -42.35 52.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' ASN . 14.0 tt0 -67.89 -67.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 67' ' ' GLU . 31.4 m-20 -34.21 -57.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 8.0 m-80 -56.1 -55.88 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -48.82 -43.33 38.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' NZ ' ' HB2' ' A' ' 56' ' ' ASP . 6.8 mtpt -49.08 -58.55 4.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -53.56 -66.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.551 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 6.4 m-85 -36.47 -38.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.63 -44.25 64.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -68.2 -45.12 72.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.461 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 54.1 m-85 -72.36 -44.76 62.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -71.17 -10.88 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.5 t -72.66 -31.43 65.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.2 pt -89.82 -38.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.19 -18.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.658 HD13 HG13 ' A' ' 108' ' ' ILE . 65.1 mt -61.1 91.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.2 p -52.45 124.34 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HA ' ' CE1' ' A' ' 104' ' ' TYR . 1.5 ppt_? -74.02 137.62 43.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mp -113.2 -52.78 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -77.53 147.46 35.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.86 142.89 25.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.3 6.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.7 t -69.87 -56.6 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.498 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -38.45 -43.02 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.42 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 9.2 mmm -53.98 -44.8 71.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 66' ' ' LYS . 60.5 t -67.27 -48.48 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 89' ' ' ASP . 37.4 mt -49.82 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.5 pp -77.86 165.07 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.57 -55.66 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.465 ' C ' HD13 ' A' ' 93' ' ' LEU . 34.3 mm -118.43 123.74 29.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.729 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.9 Cg_endo -69.72 179.99 3.29 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.48 111.45 23.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -46.36 -50.62 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.96 -45.52 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.3 m -63.39 -65.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.9 t -42.98 -60.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.8 mtp -45.01 -46.02 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.3 m -50.66 -59.59 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.487 ' CE1' ' HA ' ' A' ' 83' ' ' ARG . 17.7 t80 -51.83 -48.48 63.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.616 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.3 mt -56.47 -51.57 67.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -44.66 -33.01 1.67 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -67.32 -46.11 74.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.658 HG13 HD13 ' A' ' 81' ' ' ILE . 3.7 mp -65.41 -60.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.523 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 27.2 ttt180 -48.14 -39.39 20.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.55 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -51.1 -57.19 9.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -74.74 -59.42 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.6 m -101.99 116.61 33.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.1 m -75.95 179.47 5.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 174.83 -94.1 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 93.42 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.3 m -48.26 -57.94 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.1 t -136.16 116.52 13.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -132.04 133.26 44.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -88.08 162.57 16.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.05 172.47 22.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -55.4 150.38 11.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -73.93 -46.09 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.22 161.31 17.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 111.55 2.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -101.6 -48.98 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.91 166.69 24.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLN . 79.1 p -39.88 -42.44 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.5 tt0 -38.15 -47.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.7 m -38.49 -64.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.515 HD23 ' CE1' ' A' ' 33' ' ' PHE . 17.0 tp -48.13 -57.82 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 3.0 tp -48.08 -30.73 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 12' ' ' GLN . 88.0 t -83.86 -38.49 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.485 ' CG ' ' HG3' ' A' ' 109' ' ' ARG . 84.4 t90 -62.33 -44.86 95.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.15 -42.75 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 23.8 mtpt -68.6 -37.13 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.01 -57.07 14.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.567 HG21 HG12 ' A' ' 46' ' ' ILE . 13.8 m -59.74 -26.02 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.886 ' HB ' HG11 ' A' ' 28' ' ' VAL . 77.3 p -103.54 27.35 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -72.78 125.74 28.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 75.0 34.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 5.6 m-85 -95.08 -176.23 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -112.47 99.81 8.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.08 50.71 6.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.886 HG11 ' HB ' ' A' ' 22' ' ' THR . 92.3 t -131.23 84.05 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' THR . 19.0 ttmt -120.69 84.4 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.575 HD12 ' H ' ' A' ' 30' ' ' ILE . 5.2 mp -61.27 77.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' LYS . 19.4 p -79.03 -35.32 42.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -139.51 -179.19 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CE1' HD23 ' A' ' 14' ' ' LEU . 42.0 m-85 -117.03 30.23 7.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.0 p -128.31 -62.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' TRP . 68.7 p -87.05 -48.08 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -40.08 -28.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.595 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 30.5 m95 -106.96 -26.34 11.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 65' ' ' ILE . 18.9 ttp85 -34.2 -48.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -65.89 -54.27 28.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.29 -9.18 8.36 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 62' ' ' PRO . 85.8 mt -53.81 -59.52 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.595 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 14.2 m -52.86 -34.21 53.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 6.8 m-85 -65.66 -53.94 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 87.3 m -66.75 -56.41 10.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -35.01 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.567 HG12 HG21 ' A' ' 21' ' ' VAL . 70.1 mt -70.07 -57.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.563 HD23 ' CG1' ' A' ' 55' ' ' ILE . 30.3 tp -59.76 -22.18 61.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.516 ' CG ' ' HA ' ' A' ' 52' ' ' PRO . 14.0 t60 -78.02 -32.48 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -51.76 -56.73 12.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -69.52 -46.65 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -134.85 99.62 12.49 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.516 ' HA ' ' CG ' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.7 3.36 2.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.85 -41.71 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.16 -34.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.712 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.41 -177.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.712 ' H ' HG22 ' A' ' 55' ' ' ILE . 2.5 t70 -116.69 31.69 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 14.0 t80 -54.96 -25.55 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -61.76 -18.11 58.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.0 t -135.03 26.84 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -93.26 -177.96 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.409 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 31.4 m-20 -170.36 160.91 6.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.85 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.514 ' HB3' HD11 ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.82 7.63 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.317 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.459 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 2.1 pp0? -84.97 -21.02 29.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.459 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 19.3 m-20 -103.03 114.67 29.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 38' ' ' ARG . 49.6 mt -99.36 -49.94 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.495 ' HB2' HG21 ' A' ' 91' ' ' VAL . 12.4 ttpt -71.52 -51.54 23.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' ASN . 22.5 tt0 -56.44 -63.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 39.8 m-20 -36.4 -58.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.65 -53.28 59.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -48.75 -43.82 38.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -52.56 -51.12 61.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.698 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -56.65 -70.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.526 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 17.7 m-85 -34.6 -47.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.62 -46.18 77.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.99 -55.44 4.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.698 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 20.5 m-85 -49.09 -50.67 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.9 -24.12 65.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 t -54.4 -43.37 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.937 HD12 ' NE2' ' A' ' 111' ' ' HIS . 14.2 pt -76.04 -33.95 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.07 31.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.484 ' CD1' HD11 ' A' ' 79' ' ' ILE . 49.0 mt -101.43 103.11 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -51.92 121.01 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -78.24 116.16 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mp -95.66 -50.04 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD22 HG22 ' A' ' 101' ' ' VAL . 15.1 tp -90.9 147.5 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -106.54 151.33 40.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.729 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.526 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 54.1 Cg_endo -69.71 -47.71 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 t -56.81 -53.32 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.612 ' HA ' HD12 ' A' ' 92' ' ' LEU . 7.1 m-20 -39.0 -50.29 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mmt -47.84 -40.95 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 66' ' ' LYS . 21.2 t -75.48 -48.23 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 89' ' ' ASP . 77.0 mt -44.26 -67.04 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 95' ' ' ILE . 3.8 pp -86.07 166.97 15.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.49 -72.73 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.438 ' O ' HD13 ' A' ' 93' ' ' LEU . 16.8 mm -109.86 129.1 24.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 179.93 3.33 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.71 105.17 17.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -41.59 -41.08 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.22 -45.39 93.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.7 m -65.56 -55.64 16.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.437 HG22 HD22 ' A' ' 85' ' ' LEU . 97.2 t -52.7 -64.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 mtp -38.31 -51.04 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -46.32 -58.31 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -52.68 -53.81 42.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.507 HD13 ' HE1' ' A' ' 33' ' ' PHE . 17.5 mt -47.21 -56.18 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -40.66 -35.23 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -64.88 -57.01 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.546 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.2 mp -51.76 -58.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.485 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 7.0 ttt85 -48.44 -41.81 30.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.93 -45.16 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.937 ' NE2' HD12 ' A' ' 79' ' ' ILE . 6.9 t60 -50.44 -59.6 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -70.28 -48.39 56.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -106.95 106.46 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.0 p -63.33 146.32 53.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.57 -164.29 14.76 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.46 3.36 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.5 p -76.07 133.26 40.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 119' ' ' GLY . 58.1 p -67.75 81.38 0.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 118' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p 36.86 42.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 m -101.34 133.47 45.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.88 120.86 6.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m -96.94 46.2 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -132.59 148.05 52.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.1 79.32 1.45 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' ALA . 53.3 Cg_endo -69.82 -10.16 27.82 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.335 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -50.89 87.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -172.78 143.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 p -84.71 21.56 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.692 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.7 tt0 -119.39 -39.4 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -49.36 -44.45 44.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD23 ' CZ ' ' A' ' 33' ' ' PHE . 28.3 tp -57.63 -69.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 tp -39.78 -26.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 12' ' ' GLN . 22.6 t -88.79 -38.37 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.75 ' O ' HG13 ' A' ' 21' ' ' VAL . 74.1 t90 -56.58 -40.12 74.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -76.81 -54.52 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -57.55 -22.72 46.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.06 -56.72 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 17' ' ' TRP . 3.3 m -61.81 -23.12 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.67 ' CB ' HG11 ' A' ' 28' ' ' VAL . 48.3 p -102.08 21.11 15.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -59.51 117.18 4.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 m120 66.87 53.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 22' ' ' THR . 7.3 m-85 -113.25 -179.9 3.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' GLY . 16.9 tpp180 -71.32 107.08 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . 36.43 73.12 0.12 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.436 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.67 HG11 ' CB ' ' A' ' 22' ' ' THR . 31.3 t -123.97 93.33 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -122.32 101.26 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 30' ' ' ILE . 4.9 mp -87.56 68.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 31' ' ' THR . 92.7 m -79.93 -14.39 58.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -151.59 177.02 10.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 19.8 m-85 -116.64 34.4 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.5 p -131.64 -72.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.619 ' CG2' HD12 ' A' ' 95' ' ' ILE . 70.4 p -74.96 -53.39 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -39.73 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.934 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 43.5 m95 -107.36 -26.32 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' THR . 11.9 ttp85 -37.03 -55.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.495 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 4.1 p-10 -56.64 -58.56 7.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.52 1.03 7.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 62' ' ' PRO . 55.2 mt -54.94 -66.69 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.517 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 4.9 m -45.33 -51.75 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -46.23 -47.91 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.32 -58.33 3.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.789 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -40.54 -46.69 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -56.06 -54.3 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.558 HD23 ' CG1' ' A' ' 55' ' ' ILE . 30.6 tp -65.36 -23.83 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 52' ' ' PRO . 9.8 t60 -80.29 -20.57 44.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 46.1 t60 -64.06 -46.88 82.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -82.99 -43.5 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HB3' HD12 ' A' ' 54' ' ' LEU . 6.5 tpt180 -132.43 92.93 26.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 54.0 Cg_endo -69.78 -6.99 19.94 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -96.8 -16.77 20.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 51' ' ' ARG . 12.2 mt -68.28 -38.21 81.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.711 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -120.64 -177.31 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.711 ' H ' HG22 ' A' ' 55' ' ' ILE . 46.0 m-20 -114.57 27.36 9.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.789 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 22.7 t80 -53.73 -18.72 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -63.51 -25.03 68.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -134.31 31.3 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.6 mt -91.89 -174.77 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 39.0 m-20 -172.07 159.8 4.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.513 ' HB3' HD11 ' A' ' 41' ' ' LEU . 54.4 Cg_endo -69.72 3.4 2.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HG3' ' CB ' ' A' ' 61' ' ' ASN . 1.9 pp0? -80.01 -13.85 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -109.39 114.44 28.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 mt -97.2 -47.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -79.05 -48.62 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.24 -58.47 8.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -42.86 -48.53 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 4.2 m-80 -65.11 -58.2 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -44.89 -45.33 10.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -49.38 -56.47 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.33 -63.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 22.8 m-85 -38.13 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ALA . 26.5 t0 -78.78 -44.36 23.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.514 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -73.75 -43.59 34.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.451 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 21.4 m-85 -65.72 -48.37 72.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.04 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 m -58.07 -45.95 86.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.573 HD12 ' NE2' ' A' ' 111' ' ' HIS . 16.0 pt -72.33 -35.0 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.68 34.62 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.545 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.556 HD13 HG13 ' A' ' 108' ' ' ILE . 29.0 mt -105.2 102.02 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 111.115 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -54.96 126.79 25.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 11.0 mtm105 -78.29 126.81 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 36.4 mt -108.52 -35.53 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -103.91 154.95 19.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -110.33 148.52 38.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.494 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.78 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.262 . . . . 0.0 112.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.5 t -57.95 -54.64 44.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.609 ' HA ' HD12 ' A' ' 92' ' ' LEU . 10.2 t0 -35.38 -43.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -54.76 -45.63 74.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 88' ' ' SER . 23.6 t -69.91 -47.41 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 89' ' ' ASP . 44.7 mt -46.47 -55.87 6.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.3 pp -90.98 176.78 6.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.64 -66.45 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.619 HD12 ' CG2' ' A' ' 35' ' ' THR . 33.2 mm -117.61 132.25 23.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 95' ' ' ILE . 53.3 Cg_endo -69.78 178.07 4.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.622 2.214 . . . . 0.0 112.332 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.1 m-20 -93.51 101.53 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 97' ' ' ASP . 31.7 tttt -34.3 -51.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.49 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 103' ' ' THR . 21.7 m -41.42 -66.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' THR . 89.2 t -35.63 -55.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.4 mtp -60.22 -37.15 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 100' ' ' THR . 33.3 m -58.62 -47.03 85.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.661 ' O ' HD12 ' A' ' 108' ' ' ILE . 26.0 t80 -65.87 -42.26 90.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.934 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 11.3 mt -57.01 -54.31 48.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -44.03 -38.38 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -60.1 -51.13 70.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 104' ' ' TYR . 5.0 mp -59.31 -56.69 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 25.7 ttt-85 -50.07 -39.15 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.59 -41.7 75.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.573 ' NE2' HD12 ' A' ' 79' ' ' ILE . 12.7 t60 -52.99 -50.84 63.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -78.39 -53.16 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.6 m -95.15 126.06 40.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.5 p -84.63 161.46 20.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -175.3 -93.92 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -6.69 19.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.236 . . . . 0.0 112.381 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.6 p -39.17 156.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.6 m -40.29 138.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.457 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -175.02 113.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.906 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t 59.16 43.74 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.73 -150.34 11.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -138.05 142.69 40.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -88.09 130.34 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.23 145.73 1.01 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.91 3.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.337 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -76.27 56.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 11' ' ' SER . . . -174.56 118.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ALA . 7.9 t -34.49 -47.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.725 ' O ' HG23 ' A' ' 16' ' ' VAL . 26.4 tp60 -46.01 -51.63 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.6 p -40.12 -48.59 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.42 -63.49 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 tp -37.21 -35.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 12' ' ' GLN . 70.7 t -73.08 -54.45 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.589 ' CZ3' HG21 ' A' ' 46' ' ' ILE . 23.4 t90 -35.17 -52.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.49 ' SG ' HD11 ' A' ' 46' ' ' ILE . 7.0 t -64.82 -63.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -48.95 -21.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.82 -62.37 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.42 -19.99 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.59 ' HB ' HG11 ' A' ' 28' ' ' VAL . 80.7 p -105.84 26.92 9.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -68.88 -46.33 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -94.62 45.54 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 11.5 m-85 -117.49 177.49 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -119.73 119.05 32.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.24 37.16 22.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.59 HG11 ' HB ' ' A' ' 22' ' ' THR . 8.2 t -131.11 114.54 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.387 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' HD12 ' A' ' 30' ' ' ILE . 19.1 mtpp -132.67 -34.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.3 mp 60.64 50.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.527 HG23 ' ND2' ' A' ' 32' ' ' ASN . 5.1 t -69.67 -26.25 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.527 ' ND2' HG23 ' A' ' 31' ' ' THR . 4.4 m-20 -143.07 167.35 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 40.5 m-85 -112.11 36.02 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.9 p -130.66 -70.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.451 ' CG2' HD12 ' A' ' 95' ' ' ILE . 67.8 p -82.68 -43.43 16.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.204 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 t -45.24 -28.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.787 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 43.1 m95 -104.72 -27.05 12.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' TRP . 19.3 ttp85 -34.95 -50.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.465 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -63.5 -53.41 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 112.18 41.52 1.06 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -96.5 -52.08 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.36 . . . . 0.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.544 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 29.6 m -59.74 -33.08 71.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.43 -44.5 90.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.21 -34.83 49.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HB1' HG22 ' A' ' 22' ' ' THR . . . -55.29 -45.15 76.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.589 HG21 ' CZ3' ' A' ' 17' ' ' TRP . 51.1 mt -62.42 -66.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.564 HD23 ' CG1' ' A' ' 55' ' ' ILE . 20.3 tp -47.31 -31.73 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 18.4 t60 -69.65 -41.09 76.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -47.59 -51.35 21.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -75.8 -46.81 28.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HB3' HD12 ' A' ' 54' ' ' LEU . 13.7 tpt180 -140.33 105.0 6.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.443 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -44.13 2.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.3 -38.72 63.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 51' ' ' ARG . 10.9 mt -48.67 -37.64 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.66 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.69 178.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.66 ' H ' HG22 ' A' ' 55' ' ' ILE . 1.8 m-20 -115.68 25.1 11.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.443 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 9.0 t80 -48.02 -26.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -35.05 70.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.2 p -123.21 33.05 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 10.0 mt -93.96 -175.08 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 38.0 m-20 -173.87 160.07 3.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.483 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.46 -21.04 45.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.483 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 17.6 m-20 -102.0 114.98 29.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.408 ' CG2' HG22 ' A' ' 91' ' ' VAL . 88.1 mt -101.95 -44.03 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 88' ' ' SER . 20.4 ttpt -79.66 -44.57 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 68' ' ' ASN . 26.0 tt0 -64.52 -65.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLU . 15.9 m-20 -34.2 -58.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 4.1 m-80 -56.12 -49.09 74.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -54.22 -49.19 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -44.06 -47.3 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.76 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -61.47 -71.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 15.3 m-85 -32.73 -53.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -49.09 -46.21 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -78.56 -53.52 4.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.76 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 15.5 m-85 -49.12 -51.47 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.838 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.45 71.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t -44.7 -48.14 10.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.691 HD11 ' CD1' ' A' ' 81' ' ' ILE . 17.8 pt -73.06 -38.57 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.3 32.71 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.432 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.691 ' CD1' HD11 ' A' ' 79' ' ' ILE . 68.5 mt -102.03 101.65 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.7 m -51.28 125.18 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' CD ' ' HB3' ' A' ' 73' ' ' TYR . 28.1 mtm180 -84.36 114.78 22.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 104' ' ' TYR . 35.6 mt -91.97 -46.92 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.58 HD22 HG22 ' A' ' 101' ' ' VAL . 12.4 tp -88.31 149.09 23.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -108.03 147.64 35.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.727 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.529 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.6 Cg_endo -69.79 -50.76 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.467 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . 90.8 p -59.37 -50.28 74.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.626 ' HA ' HD12 ' A' ' 92' ' ' LEU . 10.7 t0 -42.62 -47.17 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -49.26 -48.75 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.408 HG22 ' CG2' ' A' ' 65' ' ' ILE . 48.4 t -66.8 -47.44 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 89' ' ' ASP . 39.9 mt -49.4 -60.16 3.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.434 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.4 pp -84.54 159.43 20.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.63 -59.84 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.451 HD12 ' CG2' ' A' ' 35' ' ' THR . 39.9 mm -119.48 123.93 28.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 176.92 6.14 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.2 m-20 -91.38 101.08 13.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' ASP . 4.4 ttpm? -36.72 -48.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.9 mt -54.58 -56.07 22.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.5 m -51.7 -60.9 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.58 HG22 HD22 ' A' ' 85' ' ' LEU . 98.8 t -49.83 -59.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.9 mtp -47.23 -45.16 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.1 m -55.44 -57.44 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.64 ' HA ' HD12 ' A' ' 84' ' ' LEU . 32.5 t80 -51.64 -59.05 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.787 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 13.0 mt -39.86 -58.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 105' ' ' LEU . 16.4 m-85 -37.07 -43.52 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -52.05 -58.67 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.626 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.8 mp -52.63 -55.03 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 5.6 ttt-85 -54.86 -33.67 62.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.04 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -62.25 -51.26 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -63.27 -54.08 42.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.4 p -116.27 142.55 46.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.1 m -101.45 128.55 47.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.43 -95.96 1.29 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 124.76 11.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.344 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.6 m -53.68 -54.27 40.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.7 t -64.04 -53.1 55.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p 42.89 42.35 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p -83.36 -46.33 12.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.84 150.93 8.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 p -120.96 166.98 13.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.921 0.391 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -153.45 114.59 4.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.32 162.02 18.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 166.1 28.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.304 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -168.04 176.25 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.78 177.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' GLN . 11.2 t -43.37 -53.12 5.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.789 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.825 ' O ' HG23 ' A' ' 16' ' ' VAL . 23.0 tp60 -34.36 -46.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -47.02 -56.06 7.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.5 -62.04 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 tp -39.49 -41.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 12' ' ' GLN . 59.8 t -67.11 -53.38 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 47.4 t90 -34.65 -52.85 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t -65.15 -63.89 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -43.28 -25.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -73.13 -61.1 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.57 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.8 m -66.48 -18.99 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.571 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 72.8 p -106.34 28.5 7.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -74.95 -43.37 54.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -92.39 36.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 17.8 m-85 -112.37 179.55 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -124.22 116.13 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.15 38.35 13.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.744 HG12 HD11 ' A' ' 30' ' ' ILE . 10.1 t -133.03 96.98 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.957 0.408 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.435 ' C ' HD12 ' A' ' 30' ' ' ILE . 33.6 ttpt -117.7 -20.66 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.744 HD11 HG12 ' A' ' 28' ' ' VAL . 4.0 mp 50.31 53.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.58 HG23 ' ND2' ' A' ' 32' ' ' ASN . 5.2 t -63.5 -26.84 68.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.58 ' ND2' HG23 ' A' ' 31' ' ' THR . 10.9 m-80 -148.71 177.52 9.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 55.5 m-85 -114.99 34.52 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 p -127.84 -72.08 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' ARG . 76.3 p -78.83 -53.32 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' THR . 13.6 t -36.42 -34.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.604 ' CH2' HD21 ' A' ' 105' ' ' LEU . 40.1 m95 -99.01 -29.28 12.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 65' ' ' ILE . 23.4 ttt-85 -35.52 -44.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 p30 -70.42 -47.24 61.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.474 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 106.97 42.99 1.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' HB3' ' A' ' 62' ' ' PRO . 67.9 mt -96.87 -56.95 2.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.579 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 20.4 m -59.62 -32.54 70.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 6.2 m-85 -65.3 -44.75 86.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.4 m -77.81 -34.1 52.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.542 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -58.47 -53.25 60.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.449 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 50.4 mt -49.59 -61.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.543 HD23 ' CG1' ' A' ' 55' ' ' ILE . 31.3 tp -53.02 -32.38 46.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 52' ' ' PRO . 11.6 t60 -69.66 -39.0 77.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 32.0 t60 -47.08 -41.31 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -82.37 -43.88 16.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.642 ' HB3' HD12 ' A' ' 54' ' ' LEU . 10.1 tpt180 -136.19 104.85 9.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.692 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.555 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.8 -3.28 11.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -101.16 -39.72 7.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 51' ' ' ARG . 11.6 mt -41.86 -40.79 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.543 ' CG1' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -122.51 171.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.534 ' H ' HG22 ' A' ' 55' ' ' ILE . 4.8 t0 -104.29 23.68 12.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 11.3 t80 -49.58 -22.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -58.32 -32.53 68.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -129.27 35.41 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 10.5 mt -93.97 -176.43 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 37.6 m-20 -171.29 160.02 5.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HB3' HD11 ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.72 3.93 2.47 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.59 -19.16 50.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 20.9 m-20 -104.59 114.7 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 38' ' ' ARG . 83.4 mt -98.99 -39.81 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -85.22 -50.45 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' HG2' ' CE ' ' A' ' 71' ' ' LYS . 15.3 tt0 -57.61 -57.87 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -45.84 -54.61 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.4 m-80 -59.02 -47.91 83.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.435 ' N ' ' HB3' ' A' ' 87' ' ' PRO . 35.0 tttm -48.92 -46.09 42.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' CE ' ' HG2' ' A' ' 67' ' ' GLU . 11.2 mttm -49.76 -62.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -44.47 -73.21 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' ALA . 17.1 m-85 -35.6 -44.56 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -62.86 -44.68 95.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.05 -57.07 4.97 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CE1' HG21 ' A' ' 108' ' ' ILE . 38.7 m-85 -52.55 -42.97 64.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.28 69.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -45.74 -49.25 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.771 HD11 ' CD1' ' A' ' 81' ' ' ILE . 19.2 pt -70.03 -38.56 75.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.29 33.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.771 ' CD1' HD11 ' A' ' 79' ' ' ILE . 74.0 mt -103.27 99.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -47.89 132.96 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -84.56 110.08 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.478 HD13 ' HD1' ' A' ' 104' ' ' TYR . 7.5 mp -87.88 -44.24 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.4 tp -96.81 154.35 17.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -112.02 150.9 43.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HB3' ' N ' ' A' ' 70' ' ' LYS . 53.5 Cg_endo -69.73 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.3 p -64.35 -33.74 76.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.835 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -53.41 -38.67 63.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.53 -36.98 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.0 t -72.22 -51.22 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.835 HD12 ' HA ' ' A' ' 89' ' ' ASP . 17.4 mt -41.83 -55.51 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.475 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.3 pp -95.72 173.8 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.472 ' O ' ' CD ' ' A' ' 38' ' ' ARG . . . -90.75 -53.02 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.475 ' C ' HD13 ' A' ' 93' ' ' LEU . 15.9 mm -120.54 124.45 27.62 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.24 2.76 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -97.86 96.78 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' ASP . 5.1 ttpm? -34.38 -56.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -40.26 -60.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.9 m -56.94 -60.79 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.6 t -42.61 -61.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.8 mtp -50.78 -43.4 58.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 61.7 m -55.06 -47.02 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.478 ' HD1' HD13 ' A' ' 84' ' ' LEU . 17.2 t80 -60.65 -51.88 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.604 HD21 ' CH2' ' A' ' 37' ' ' TRP . 9.1 mt -45.23 -60.51 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.419 ' O ' ' CB ' ' A' ' 110' ' ' ALA . 24.8 m-85 -37.05 -41.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -55.98 -53.51 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -63.15 -58.04 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -55.23 -33.6 63.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 106' ' ' TYR . . . -72.76 -41.1 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.488 ' NE2' HD12 ' A' ' 79' ' ' ILE . 2.0 t-80 -57.26 -53.17 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -70.27 -49.44 49.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 t -114.42 111.6 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.7 m -69.06 174.66 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.49 -91.28 2.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 103.39 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.1 m -83.34 85.25 7.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.1 t 59.2 42.18 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.449 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -77.09 155.94 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 110.893 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 m -134.81 108.28 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.0 138.19 6.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -107.7 112.64 25.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -91.04 -52.79 4.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.18 158.19 9.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 101.73 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' N ' ' HB2' ' A' ' 13' ' ' SER . 1.9 t-20 -81.36 -174.95 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.36 -62.08 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' SER . 91.7 p -98.68 -74.94 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.782 ' O ' HG23 ' A' ' 16' ' ' VAL . 16.3 pt20 -38.68 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.444 ' HB2' ' N ' ' A' ' 9' ' ' ASN . 12.7 t -47.27 -50.17 22.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.52 -59.32 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -50.93 -27.31 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 12' ' ' GLN . 90.4 t -87.02 -38.43 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.522 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 90.0 t90 -60.27 -45.44 93.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' HG21 ' A' ' 30' ' ' ILE . 2.7 p -69.48 -42.96 74.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -67.99 -21.24 65.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -73.04 -55.65 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.436 ' HB ' ' CG ' ' A' ' 49' ' ' HIS . 1.9 m -67.78 -24.02 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.825 ' HB ' HG11 ' A' ' 28' ' ' VAL . 80.9 p -102.51 31.48 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -78.13 -38.26 44.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -102.99 38.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.578 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 11.4 m-85 -109.24 178.94 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -121.44 113.96 20.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.36 47.19 7.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.531 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.825 HG11 ' HB ' ' A' ' 22' ' ' THR . 58.7 t -131.0 91.67 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -120.75 87.53 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.579 HD12 ' H ' ' A' ' 30' ' ' ILE . 5.3 mp -71.84 82.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.421 HG23 ' CG ' ' A' ' 32' ' ' ASN . 11.3 t -90.74 -27.45 18.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' CG ' HG23 ' A' ' 31' ' ' THR . 12.2 m-20 -141.11 177.81 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 32.4 m-85 -117.97 32.55 6.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.7 -72.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' ARG . 73.9 p -77.53 -50.21 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 m -38.23 -34.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.673 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 25.4 m95 -100.96 -26.61 13.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' TRP . 32.5 ttt-85 -35.63 -48.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.479 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 p30 -65.95 -53.78 34.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.49 36.8 1.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 mt -87.7 -60.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.48 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 67.7 m -52.81 -37.89 60.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -57.75 -45.38 85.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.7 m -75.96 -41.88 50.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.702 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -57.19 -59.62 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.421 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 86.2 mt -42.49 -54.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.6 HD23 ' CG1' ' A' ' 55' ' ' ILE . 32.9 tp -59.01 -37.11 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -66.34 -30.84 71.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.436 ' CG ' ' HB ' ' A' ' 21' ' ' VAL . 14.9 t-80 -56.02 -45.38 79.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -72.97 -51.2 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 2.3 mmp_? -139.0 105.1 7.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.6 Cg_endo -69.79 1.93 4.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -107.99 36.74 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.9 mt -126.92 -41.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.6 ' CG1' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -117.95 171.05 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' H ' HG22 ' A' ' 55' ' ' ILE . 73.2 m-20 -106.61 25.33 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.702 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 10.7 t80 -50.61 -23.92 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -57.23 -28.8 63.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -131.25 35.79 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 60' ' ' LEU . 12.1 mt -98.19 -178.33 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 35.9 m-20 -167.72 160.27 9.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 4.19 2.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.55 -20.47 46.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 20.6 m-20 -102.27 115.04 29.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -101.0 -46.85 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -75.39 -45.08 41.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 68' ' ' ASN . 21.7 tt0 -64.87 -65.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' GLU . 31.1 m-20 -35.46 -58.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 5.1 m-80 -57.1 -51.59 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -49.77 -45.6 49.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -48.44 -60.96 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.719 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -48.64 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.447 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 16.7 m-85 -34.29 -46.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -57.73 -46.41 84.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.0 -56.35 4.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.719 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 17.9 m-85 -48.98 -43.58 40.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HB2' ' HD2' ' A' ' 83' ' ' ARG . . . -70.35 -30.66 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -45.48 -49.09 13.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.442 HD11 ' CD1' ' A' ' 81' ' ' ILE . 24.3 pt -71.23 -41.04 74.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.441 ' N ' HG13 ' A' ' 79' ' ' ILE . . . 144.8 35.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 79' ' ' ILE . 30.2 mt -103.55 100.63 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 111.123 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.0 p -46.53 151.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 2.5 mpp_? -97.21 103.17 15.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.504 HD13 ' HD1' ' A' ' 104' ' ' TYR . 6.8 mp -85.32 -44.89 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 tp -102.1 151.2 22.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -109.28 150.43 41.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.673 0.749 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.76 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.0 p -56.11 -47.44 78.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.507 ' HA ' HD12 ' A' ' 92' ' ' LEU . 79.4 m-20 -42.33 -53.22 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.6 mmt -48.89 -41.67 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -70.68 -47.55 63.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 89' ' ' ASP . 56.8 mt -49.56 -59.34 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.3 pp -88.69 168.16 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.28 -62.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.455 ' O ' HD13 ' A' ' 93' ' ' LEU . 15.1 mm -116.34 127.71 26.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 176.7 6.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 98' ' ' LYS . 8.8 m-20 -89.68 101.59 14.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASP . 37.8 tttt -38.16 -53.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.0 -45.73 68.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.7 m -59.07 -59.87 4.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.7 t -50.07 -63.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.3 mtp -41.12 -47.33 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 96.5 m -54.96 -47.62 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.504 ' HD1' HD13 ' A' ' 84' ' ' LEU . 21.6 t80 -63.24 -49.48 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.673 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 10.2 mt -52.11 -60.66 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 105' ' ' LEU . 10.7 m-85 -34.73 -45.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -52.35 -55.33 22.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.756 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.8 mp -59.49 -56.46 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.522 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -54.19 -34.36 60.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.91 -40.69 53.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -58.8 -55.12 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -62.36 -48.45 79.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 t -137.4 138.28 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.3 t -123.35 45.44 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.51 -153.86 24.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 141.7 46.0 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.238 . . . . 0.0 112.372 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.4 t -67.74 108.53 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -111.11 140.2 45.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -103.37 104.36 14.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.8 m -88.37 -58.7 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.1 42.7 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -114.27 82.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 m -109.61 143.78 38.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.46 168.22 32.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 165.39 31.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 m120 62.6 42.9 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.34 124.11 15.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.5 p -53.32 -48.85 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 16' ' ' VAL . 9.3 tm0? -56.31 -53.07 61.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -53.18 -48.49 68.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 105' ' ' LEU . 23.6 tp -62.18 -59.47 5.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 33' ' ' PHE . 8.0 tp -49.41 -41.12 38.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 12' ' ' GLN . 48.0 t -70.32 -46.85 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 53.9 t90 -40.01 -52.07 2.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 20' ' ' GLU . 41.8 t -64.25 -64.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -43.11 -24.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 18' ' ' CYS . 3.5 tt0 -73.14 -50.31 23.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.561 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 1.6 m -79.46 -12.25 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.832 ' HB ' HG11 ' A' ' 28' ' ' VAL . 68.9 p -122.22 22.95 10.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -47.46 -63.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.79 68.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 6.7 m-85 -115.68 166.55 11.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' GLY . 5.1 tpm_? -55.63 104.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . 36.81 82.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.832 HG11 ' HB ' ' A' ' 22' ' ' THR . 95.6 t -135.02 86.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 111.117 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -109.35 101.53 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -85.21 69.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.434 HG23 ' ND2' ' A' ' 32' ' ' ASN . 8.5 t -78.73 -26.0 44.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.434 ' ND2' HG23 ' A' ' 31' ' ' THR . 2.8 m-20 -144.28 -179.37 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' HE1' HD13 ' A' ' 105' ' ' LEU . 34.7 m-85 -114.36 29.69 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 p -131.71 -72.1 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.426 HG22 HH21 ' A' ' 38' ' ' ARG . 63.7 p -71.54 -41.61 68.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.37 -24.44 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.627 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 25.2 m95 -111.97 -23.62 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.426 HH21 HG22 ' A' ' 35' ' ' THR . 13.6 ttm180 -35.74 -47.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.489 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -68.09 -56.97 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.25 32.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.67 -67.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 46.1 m -47.89 -39.91 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CE1' ' CE2' ' A' ' 104' ' ' TYR . 10.7 m-85 -55.35 -44.9 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 m -76.99 -47.14 21.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.739 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -54.77 -55.41 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.3 mt -44.87 -56.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.506 HD23 ' CG1' ' A' ' 55' ' ' ILE . 36.5 tp -56.59 -31.67 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 5.1 t60 -69.36 -41.02 77.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.527 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 25.5 t60 -47.77 -41.36 23.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 34.4 m-85 -76.49 -51.84 10.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.718 ' HB2' HD12 ' A' ' 54' ' ' LEU . 4.3 mmt180 -133.14 103.35 12.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.76 3.07 2.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.82 32.44 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' A' ' 51' ' ' ARG . 15.6 mt -116.37 -39.7 3.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -118.32 175.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.628 ' H ' HG22 ' A' ' 55' ' ' ILE . 34.9 t70 -107.55 23.78 13.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.739 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 13.0 t80 -49.55 -28.31 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -54.08 -29.64 45.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.4 t -128.92 36.33 4.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 12.8 mt -100.48 177.17 5.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 32.3 m-20 -161.93 160.69 22.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 4.9 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.48 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.7 pp0? -80.38 -20.3 44.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.48 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 17.3 m-20 -100.57 115.36 29.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.7 mt -98.74 -52.55 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.643 ' HB2' HG21 ' A' ' 91' ' ' VAL . 15.8 ttmt -74.21 -46.49 41.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.61 -65.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -39.22 -45.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.0 m-80 -66.02 -51.21 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -50.91 -52.89 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -41.96 -58.67 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.771 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -50.31 -68.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.458 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 17.9 m-85 -33.39 -54.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -48.53 -44.33 36.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.11 -53.17 4.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.771 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 22.3 m-85 -49.82 -51.49 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.638 ' HB2' ' HD2' ' A' ' 83' ' ' ARG . . . -65.99 -35.13 79.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -44.67 -50.62 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.679 HD12 ' CD2' ' A' ' 111' ' ' HIS . 16.0 pt -68.95 -39.8 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' N ' HG13 ' A' ' 79' ' ' ILE . . . 146.01 32.96 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.639 ' CD1' HD11 ' A' ' 79' ' ' ILE . 63.6 mt -106.84 98.0 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.3 m -42.58 157.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.638 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -96.9 92.3 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 84' ' ' LEU . 7.6 mp -80.27 -43.97 20.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.3 tp -98.38 152.48 19.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.424 ' HB2' ' CG ' ' A' ' 89' ' ' ASP . 60.2 mm-40 -110.89 146.18 33.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.458 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.6 Cg_endo -69.79 -50.51 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 91' ' ' VAL . 85.2 p -58.01 -52.21 66.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.624 ' HA ' HD12 ' A' ' 92' ' ' LEU . 2.2 m-20 -37.03 -45.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -56.81 -42.24 79.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 66' ' ' LYS . 64.3 t -74.37 -51.74 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 89' ' ' ASP . 52.3 mt -40.11 -64.83 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.532 ' C ' HD12 ' A' ' 93' ' ' LEU . 1.8 pp -93.31 176.8 6.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.33 -61.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.417 ' O ' HD13 ' A' ' 93' ' ' LEU . 18.5 mm -99.44 126.35 37.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.733 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -176.44 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.31 94.76 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -42.09 -59.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.6 mt -47.2 -51.48 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.9 m -58.92 -55.74 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.0 t -49.68 -61.15 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.3 mtp -45.08 -48.07 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.2 m -59.05 -40.3 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.588 ' O ' HD12 ' A' ' 108' ' ' ILE . 24.0 t80 -65.93 -49.88 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.627 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 22.4 mt -50.04 -58.67 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -38.04 -42.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -57.4 -52.52 65.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.592 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -61.77 -57.67 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.03 -40.27 63.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.84 79.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.679 ' CD2' HD12 ' A' ' 79' ' ' ILE . 52.9 t60 -52.0 -55.51 20.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.626 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 81.4 m-85 -67.92 -43.91 78.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.5 p -69.86 167.65 16.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.2 p -107.1 -31.3 8.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.79 -149.02 22.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.44 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.8 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.9 p -69.77 126.0 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.3 t 60.61 41.8 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -119.23 172.07 7.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -72.01 -30.97 65.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.91 154.63 24.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -75.21 141.51 43.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 p -153.76 139.74 18.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.58 162.3 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 133.32 25.27 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -138.27 178.4 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' SER . . . -45.86 165.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' GLN . 2.8 m -37.49 -43.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 16' ' ' VAL . 22.2 tt0 -34.51 -52.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -46.34 -58.63 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.5 tp -54.57 -57.33 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 tp -45.98 -35.37 4.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 12' ' ' GLN . 55.5 t -77.78 -45.91 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.579 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 81.3 t90 -37.72 -51.52 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 t -67.89 -45.24 75.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.61 -21.17 37.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -83.12 -63.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' ' 46' ' ' ILE . 3.1 m -54.6 -29.61 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.777 ' CB ' HG11 ' A' ' 28' ' ' VAL . 59.0 p -90.82 27.99 1.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -70.61 125.69 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 67.45 44.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.559 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 8.5 m-85 -104.0 140.87 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -39.65 -74.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.65 95.7 0.42 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.777 HG11 ' CB ' ' A' ' 22' ' ' THR . 89.4 t -144.21 105.05 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -134.82 94.52 3.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.574 HD12 ' H ' ' A' ' 30' ' ' ILE . 4.3 mp -82.8 75.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -83.35 -22.03 32.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -148.99 -179.96 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 49.1 m-85 -121.1 31.17 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -127.35 -68.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.441 ' CG2' ' CD1' ' A' ' 95' ' ' ILE . 69.8 p -87.07 -30.65 20.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -55.16 -31.48 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.803 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 16.3 m95 -105.13 -17.08 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -41.93 -51.56 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 1.3 p30 -62.4 -56.16 20.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.75 29.38 2.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.25 -63.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.4 m -48.09 -41.75 27.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 22.4 m-85 -54.9 -46.79 74.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.2 m -75.08 -35.98 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.71 76.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.557 HG23 HG21 ' A' ' 21' ' ' VAL . 35.9 mt -55.24 -61.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.49 HD23 ' CG1' ' A' ' 55' ' ' ILE . 32.6 tp -51.45 -39.95 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.411 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 6.1 t60 -62.94 -34.13 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.493 ' CD2' ' HA ' ' A' ' 21' ' ' VAL . 25.3 t60 -54.04 -52.8 59.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.539 ' HE2' HG22 ' A' ' 46' ' ' ILE . 44.2 m-85 -64.58 -46.7 81.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HB3' HD12 ' A' ' 54' ' ' LEU . 10.3 tpp180 -143.66 105.0 4.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.6 Cg_endo -69.73 -0.19 6.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -108.3 28.77 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 51' ' ' ARG . 15.0 mt -114.89 -38.66 3.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.626 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -120.37 175.42 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.626 ' H ' HG22 ' A' ' 55' ' ' ILE . 66.7 m-20 -107.34 24.15 13.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.439 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 11.2 t80 -50.15 -23.14 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -57.67 -31.25 66.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -129.29 34.39 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 11.3 mt -94.74 176.08 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.411 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 30.2 m-20 -161.46 161.36 22.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.721 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 3.95 2.49 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.522 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.64 -22.83 43.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.522 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 16.3 m-20 -99.22 115.45 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.4 mt -103.02 -49.49 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HB2' HG21 ' A' ' 91' ' ' VAL . 3.9 ttmp? -72.35 -42.44 65.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.3 tp10 -66.3 -64.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' GLU . 17.0 m-20 -34.55 -44.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.433 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 4.7 m-80 -70.76 -44.26 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' GLU . 17.1 tptm -53.62 -54.95 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 68' ' ' ASN . 13.0 mtmm -44.96 -59.56 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.771 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -46.24 -72.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 72' ' ' ALA . 16.0 m-85 -34.02 -52.97 0.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.56 -44.56 46.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.78 -53.95 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.771 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 19.1 m-85 -49.64 -52.0 33.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.98 -22.31 65.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -53.96 -44.48 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 81' ' ' ILE . 16.9 pt -76.06 -37.95 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 144.85 33.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.592 ' CD1' HD11 ' A' ' 79' ' ' ILE . 69.7 mt -105.51 97.57 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 111.119 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t -44.84 145.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -95.16 105.35 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 104' ' ' TYR . 72.9 mt -86.01 -52.7 5.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.608 HD22 HG22 ' A' ' 101' ' ' VAL . 17.1 tp -87.32 154.72 20.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -110.23 148.26 37.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.668 0.747 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.406 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.8 -46.46 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 p -63.01 -45.83 90.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -43.08 -51.28 5.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.7 mmt -50.07 -32.93 16.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 66' ' ' LYS . 40.4 t -85.25 -40.73 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.9 mt -52.52 -49.77 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.4 pp -100.51 179.99 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.72 -61.53 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.441 ' CD1' ' CG2' ' A' ' 35' ' ' THR . 25.2 mm -115.94 128.06 26.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -178.62 2.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.4 m-20 -99.81 100.02 10.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' ASP . 14.6 ttmt -33.99 -57.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.6 mt -50.11 -45.08 52.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' ASP . 86.9 m -61.67 -51.61 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.608 HG22 HD22 ' A' ' 85' ' ' LEU . 98.1 t -63.2 -63.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 55.6 mtp -39.87 -49.62 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.8 m -52.77 -49.64 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.635 ' HA ' HD12 ' A' ' 84' ' ' LEU . 26.3 t80 -57.7 -46.07 84.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.803 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 11.5 mt -53.41 -59.8 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' LEU . 21.0 m-85 -36.18 -39.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -60.22 -44.69 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.551 HG13 HD13 ' A' ' 81' ' ' ILE . 4.1 mp -72.4 -56.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 tmt_? -54.8 -32.8 60.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.54 -43.74 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -51.94 -56.63 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -70.67 -60.66 2.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 t -94.95 119.29 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -91.65 135.17 34.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -53.88 -94.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 142.85 48.65 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.691 2.26 . . . . 0.0 112.324 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.6 p -121.36 -22.47 5.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.2 p -107.59 102.25 11.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -89.73 82.94 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -42.05 -61.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.55 59.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 p -122.33 136.14 54.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -85.21 161.67 19.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.66 80.52 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.459 ' CD ' ' HA3' ' A' ' 115' ' ' GLY . 54.5 Cg_endo -69.7 -0.18 6.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.392 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' PRO . 4.4 m120 -34.48 95.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -161.64 129.65 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 p -43.5 -58.55 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 16' ' ' VAL . 7.6 tp-100 -50.73 -53.79 28.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -48.91 -49.35 40.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.97 -59.92 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -47.16 -47.08 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 12' ' ' GLN . 75.2 t -62.47 -44.08 98.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 88.8 t90 -52.81 -46.14 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 m -64.78 -52.81 54.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -59.33 -32.5 70.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -62.97 -69.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.515 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.5 m -51.08 -23.98 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.825 ' HB ' HG11 ' A' ' 28' ' ' VAL . 57.9 p -105.11 29.15 6.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 123.88 23.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m120 68.63 44.74 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.579 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 7.0 m-85 -102.45 174.87 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -75.42 90.41 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.85 67.05 2.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.825 HG11 ' HB ' ' A' ' 22' ' ' THR . 89.4 t -126.19 83.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 31' ' ' THR . 1.7 ttmp? -114.05 88.3 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.6 HD12 ' H ' ' A' ' 30' ' ' ILE . 5.2 mp -69.6 79.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 ' HG2' ' A' ' 29' ' ' LYS . 17.8 p -82.65 -33.12 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -135.16 -175.85 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.493 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 57.0 m-85 -122.99 26.93 7.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.469 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 0.8 OUTLIER -126.9 -56.14 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 38' ' ' ARG . 63.4 p -90.46 -53.09 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' THR . 2.2 m -37.42 -32.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 20.1 m95 -102.52 -25.93 13.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 35' ' ' THR . 15.3 ttp85 -34.18 -49.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 10.2 p-10 -67.21 -54.27 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.5 35.14 1.33 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' HG ' ' ND2' ' A' ' 39' ' ' ASN . 35.7 mt -85.56 -57.07 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 70.5 m -57.06 -41.05 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.19 -47.46 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.8 m -74.33 -39.21 62.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -58.05 -53.28 60.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.432 HG12 HG21 ' A' ' 21' ' ' VAL . 65.0 mt -50.59 -61.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 30.7 tp -52.54 -33.2 44.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.458 ' HB2' HD13 ' A' ' 55' ' ' ILE . 9.6 t60 -73.95 -35.88 64.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.515 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 28.6 t60 -51.6 -54.3 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 66.3 m-85 -66.1 -45.12 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HB3' HD12 ' A' ' 54' ' ' LEU . 24.9 tpt180 -142.1 105.05 5.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.644 0.735 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.4 Cg_endo -69.83 -6.26 18.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.301 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -101.85 33.39 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.487 HD12 ' HB3' ' A' ' 51' ' ' ARG . 15.0 mt -120.45 -37.16 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.5 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -124.94 170.1 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' H ' HG22 ' A' ' 55' ' ' ILE . 1.1 m-20 -101.81 27.45 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.43 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 12.1 t80 -51.58 -27.51 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -56.63 -25.05 52.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -132.74 34.09 3.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 11.9 mt -97.81 179.54 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 34.4 m-20 -164.98 160.5 14.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 4.51 2.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.502 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -80.05 -22.1 42.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.502 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 21.7 m-20 -100.55 115.13 29.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.415 HG23 ' HA ' ' A' ' 39' ' ' ASN . 53.0 mt -99.64 -46.85 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 24.0 ttpp -75.91 -46.91 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 68' ' ' ASN . 44.2 tt0 -62.1 -66.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 67' ' ' GLU . 24.8 m-20 -33.93 -59.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 15.3 m-80 -58.7 -56.57 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' N ' ' HB3' ' A' ' 87' ' ' PRO . 17.1 ttpp -43.57 -47.99 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -52.82 29.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.03 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 16.2 m-85 -34.95 -39.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -67.18 -47.04 72.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -69.76 -59.58 5.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 31.8 m-85 -50.06 -46.55 53.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.04 -24.97 64.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -55.15 -47.85 74.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 81' ' ' ILE . 19.8 pt -70.0 -36.89 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.13 32.73 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.529 HD13 HG13 ' A' ' 108' ' ' ILE . 64.0 mt -100.89 95.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.9 m -44.45 109.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HA ' ' CE1' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -70.63 140.07 51.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 104' ' ' TYR . 12.5 mt -122.46 -52.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -79.12 145.04 33.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -109.37 150.62 41.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HB3' ' N ' ' A' ' 70' ' ' LYS . 53.5 Cg_endo -69.75 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.481 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 87.2 p -55.75 -60.8 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.706 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -37.4 -47.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.501 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 18.7 mmm -50.51 -43.21 55.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' SER . 90.5 t -72.08 -49.01 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 89' ' ' ASP . 55.5 mt -44.26 -61.51 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.0 pp -87.17 163.8 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.63 -56.64 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 93' ' ' LEU . 42.8 mm -118.9 126.74 26.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.648 0.737 . . . . 0.0 111.159 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.469 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.2 Cg_endo -69.71 -172.44 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' THR . 0.7 OUTLIER -100.27 100.15 10.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASP . 3.6 ttpm? -38.08 -48.6 1.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.13 -42.3 72.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 97' ' ' ASP . 13.5 m -64.58 -65.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.2 t -44.37 -60.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 20.4 mtp -43.84 -47.33 8.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.2 m -53.6 -54.17 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.559 ' HA ' HD12 ' A' ' 84' ' ' LEU . 13.4 t80 -53.5 -58.68 6.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.543 HD21 ' CH2' ' A' ' 37' ' ' TRP . 15.7 mt -38.5 -62.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 105' ' ' LEU . 20.6 m-85 -34.73 -39.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -60.42 -46.53 89.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.529 HG13 HD13 ' A' ' 81' ' ' ILE . 5.1 mp -69.51 -58.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.49 -36.41 61.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 106' ' ' TYR . . . -68.78 -46.84 67.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -51.75 -60.96 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.417 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 63.3 m-85 -60.96 -49.98 75.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -116.14 97.91 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 117' ' ' SER . 57.4 m -87.2 96.29 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.459 ' HA3' ' CD ' ' A' ' 8' ' ' PRO . . . -64.79 -62.04 5.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.5 Cg_endo -69.74 2.31 3.63 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 114' ' ' SER . 27.5 t -34.49 102.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.1 t -82.55 127.19 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -144.31 145.24 31.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -60.5 104.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.88 40.71 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 p -148.36 149.19 31.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -114.65 -62.81 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.82 -95.13 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -170.66 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.299 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.8 t30 49.32 46.3 23.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.0 122.83 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -71.74 -62.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' O ' HG23 ' A' ' 16' ' ' VAL . 28.4 tp60 -42.63 -43.07 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 m -43.0 -57.5 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 15' ' ' LEU . 12.8 tp -56.88 -64.05 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.74 ' CD1' HG22 ' A' ' 30' ' ' ILE . 5.0 tp -32.17 -65.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.592 ' HA ' ' HZ2' ' A' ' 19' ' ' LYS . 22.3 t -44.1 -59.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.623 ' HZ3' HD13 ' A' ' 46' ' ' ILE . 92.2 t90 -32.24 -41.19 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.9 m -77.45 -47.81 18.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.592 ' HZ2' ' HA ' ' A' ' 16' ' ' VAL . 5.6 mtmp? -56.63 -42.06 78.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.97 -70.23 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.553 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.5 m -49.8 -25.47 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.746 ' HB ' HG11 ' A' ' 28' ' ' VAL . 75.6 p -105.98 29.24 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -77.39 -21.65 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -118.13 50.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.478 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 8.2 m-85 -122.3 -178.39 3.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.3 ttp85 -125.01 104.94 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.51 42.36 5.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.746 HG11 ' HB ' ' A' ' 22' ' ' THR . 94.0 t -126.47 86.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -116.13 97.15 5.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.74 HG22 ' CD1' ' A' ' 15' ' ' LEU . 4.2 mp -74.81 81.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 m -94.2 -27.38 16.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -148.34 152.91 37.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.576 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 40.2 m-85 -92.1 13.56 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.7 p -111.45 -64.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 37' ' ' TRP . 59.3 p -80.85 -52.8 7.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 32' ' ' ASN . 1.2 t -38.33 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.764 ' CH2' HD21 ' A' ' 105' ' ' LEU . 16.6 m95 -111.22 -19.82 12.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' THR . 9.0 ttp85 -35.74 -49.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.66 ' HA ' HG23 ' A' ' 65' ' ' ILE . 1.1 p30 -74.3 -42.97 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.22 33.41 2.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 mt -83.42 -68.56 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.592 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.8 m -47.14 -21.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 5.4 m-85 -77.87 -41.32 37.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.52 -31.06 37.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -66.35 -44.18 83.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.623 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 63.9 mt -58.96 -60.07 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.666 ' HG ' HD11 ' A' ' 55' ' ' ILE . 45.5 tp -56.01 -30.75 62.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -69.71 -42.17 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.553 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 46.5 t60 -47.19 -38.99 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -83.05 -50.16 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.4 tpt180 -134.81 102.84 11.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.5 Cg_endo -69.74 2.37 3.58 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -104.84 -34.63 8.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 47' ' ' LEU . 12.0 mt -49.42 -34.56 16.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.666 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -128.39 177.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.642 ' H ' HG22 ' A' ' 55' ' ' ILE . 20.0 m-20 -110.63 27.7 9.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 16.0 t80 -51.84 -22.84 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -61.23 -28.82 69.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.8 t -128.55 31.03 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.9 mt -92.45 -174.88 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 38.9 m-20 -173.62 159.88 3.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 3.32 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.79 -13.15 59.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 15.5 m-20 -110.49 114.38 27.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.66 HG23 ' HA ' ' A' ' 39' ' ' ASN . 17.8 mt -98.44 -47.14 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HB2' HG21 ' A' ' 91' ' ' VAL . 40.2 ttmt -74.4 -52.34 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 70' ' ' LYS . 4.2 tp10 -56.25 -67.4 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLU . 16.4 m-20 -34.1 -46.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.3 m-80 -68.02 -44.79 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' GLU . 22.4 ttpp -61.26 -35.65 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' A' ' 55' ' ' ILE . 14.4 mttm -58.86 -52.16 66.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.689 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -55.48 -74.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.059 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' ALA . 5.0 m-85 -34.43 -51.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -48.95 -46.41 43.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.51 -53.15 4.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.689 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 20.9 m-85 -49.89 -56.84 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.52 -11.9 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 1.8 t -68.77 -38.06 79.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.75 HD12 ' CD2' ' A' ' 111' ' ' HIS . 7.6 pt -82.54 -23.96 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.82 30.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.631 HD11 HD11 ' A' ' 79' ' ' ILE . 82.7 mt -105.21 97.4 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -50.85 120.6 4.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.4 ptt85 -78.78 125.62 29.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -105.48 -54.0 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.546 HD22 HG22 ' A' ' 101' ' ' VAL . 20.7 tp -73.86 156.14 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -114.6 143.02 29.15 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.681 0.753 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -44.39 2.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.3 m -65.32 -42.13 93.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.76 -44.43 38.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -52.33 -41.72 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 66' ' ' LYS . 21.3 t -71.8 -50.14 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.3 mt -42.37 -67.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.604 ' C ' HD12 ' A' ' 93' ' ' LEU . 2.7 pp -84.34 -175.96 6.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.84 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.7 mm -111.0 129.98 23.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 179.14 3.9 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.53 103.46 15.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -42.25 -44.92 3.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.5 mt -53.68 -52.94 58.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.3 m -58.69 -67.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.546 HG22 HD22 ' A' ' 85' ' ' LEU . 96.4 t -39.3 -61.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.9 mtp -45.34 -44.5 11.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.9 m -57.35 -42.66 82.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -68.18 -49.93 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.764 HD21 ' CH2' ' A' ' 37' ' ' TRP . 8.3 mt -49.1 -55.94 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -40.63 -43.13 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -54.92 -56.76 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.63 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.7 mp -52.51 -57.91 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.533 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 9.5 ttt85 -49.92 -39.75 41.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.52 -45.18 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.75 ' CD2' HD12 ' A' ' 79' ' ' ILE . 5.1 t60 -47.12 -48.59 23.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -86.57 -60.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.9 t -65.61 175.34 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.9 m -111.13 134.32 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -125.97 -165.07 11.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 141.92 46.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.4 p -131.28 139.05 49.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.0 m -51.87 115.94 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -110.08 140.55 44.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 m -56.8 165.57 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.7 -129.83 3.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -152.59 119.47 5.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.83 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -109.59 149.0 30.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.96 174.85 1.94 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.36 57.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' ALA . 16.3 t-20 -151.56 -179.87 7.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' ASN . . . -47.72 176.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.4 t -42.51 -37.25 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.2 tm0? -42.26 -47.28 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 p -49.7 -39.16 35.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.545 HD22 ' CE1' ' A' ' 106' ' ' TYR . 67.2 tp -76.62 -62.22 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 6.2 tp -43.37 -33.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.1 t -80.99 -44.71 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.479 ' O ' HG13 ' A' ' 21' ' ' VAL . 80.4 t90 -42.0 -49.78 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.4 t -69.15 -55.97 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' CG ' HD13 ' A' ' 30' ' ' ILE . 6.3 mtpm? -50.83 -20.0 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -81.01 -55.87 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.571 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.7 m -68.97 -13.59 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.921 ' HB ' HG11 ' A' ' 28' ' ' VAL . 81.3 p -108.59 23.9 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -65.69 125.18 24.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m120 62.22 50.54 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.523 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 5.3 m-85 -104.77 -176.79 3.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -82.53 96.32 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 58.98 10.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.921 HG11 ' HB ' ' A' ' 22' ' ' THR . 98.7 t -115.95 89.61 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.858 0.361 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' THR . 69.8 tttt -118.5 83.82 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.633 HD12 ' H ' ' A' ' 30' ' ' ILE . 5.3 mp -60.49 75.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -85.5 -26.78 26.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.43 177.1 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.579 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 14.0 m-85 -112.26 8.84 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 73.0 p -111.99 -61.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 38' ' ' ARG . 40.6 p -78.15 -56.7 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' THR . 13.8 t -37.96 -31.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.631 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 18.1 m95 -107.41 -19.61 13.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 35' ' ' THR . 9.2 ttp85 -39.58 -47.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -73.95 -54.46 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.75 24.57 2.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.6 mt -75.91 -64.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.505 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 49.2 m -49.37 -39.34 31.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 12.1 m-85 -58.42 -55.85 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -64.97 -35.87 82.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -58.15 -46.87 84.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.71 -65.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.737 ' HG ' HD11 ' A' ' 55' ' ' ILE . 59.1 tp -50.91 -26.52 5.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 24.5 t-80 -79.79 -26.8 40.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.571 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 60.7 t60 -56.66 -42.9 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -86.49 -51.61 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.911 ' CB ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -120.16 90.95 45.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.712 . . . . 0.0 110.833 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.581 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.76 4.07 2.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 33.9 t0 -110.17 -22.5 11.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.911 HD12 ' CB ' ' A' ' 51' ' ' ARG . 7.5 mt -60.23 -42.89 96.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.737 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -116.43 -179.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.662 ' H ' HG22 ' A' ' 55' ' ' ILE . 18.6 m-20 -112.99 30.94 6.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 21.3 t80 -55.69 -19.81 12.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -69.09 -21.6 64.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -131.5 21.6 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD21 ' HZ3' ' A' ' 71' ' ' LYS . 9.6 mt -83.57 -174.9 5.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -171.59 159.92 4.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.42 2.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.389 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.409 ' C ' ' CD ' ' A' ' 63' ' ' GLN . 1.7 pp0? -80.78 -9.27 59.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 11.9 m-20 -114.88 113.76 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.428 HG23 ' HA ' ' A' ' 39' ' ' ASN . 59.4 mt -100.42 -42.68 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.623 ' HB2' HG21 ' A' ' 91' ' ' VAL . 25.9 ttmt -81.02 -42.25 21.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 68' ' ' ASN . 13.1 tt0 -66.82 -64.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 67' ' ' GLU . 32.8 m-20 -35.13 -52.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 18.1 m-80 -63.17 -56.21 18.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -46.18 -42.75 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HZ3' HD21 ' A' ' 60' ' ' LEU . 36.7 mttt -54.11 -42.7 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -65.87 -59.31 3.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.593 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 8.4 m-85 -46.55 -23.9 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.87 -39.45 51.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -82.33 -45.45 6.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 37.9 m-85 -65.48 -44.47 87.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -71.12 -17.59 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.2 t -68.37 -46.95 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.556 HD12 ' NE2' ' A' ' 111' ' ' HIS . 8.5 pt -68.95 -35.09 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.35 37.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.533 ' CD1' HD11 ' A' ' 79' ' ' ILE . 62.0 mt -106.73 93.5 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.2 m -38.81 139.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -85.12 126.11 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 44.9 mt -113.08 -51.32 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.479 HD21 ' CE ' ' A' ' 90' ' ' MET . 21.1 tp -89.87 154.15 20.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -111.25 146.5 34.7 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.693 0.758 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.643 2.229 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 m -61.0 -45.9 92.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -43.0 -52.17 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.479 ' CE ' HD21 ' A' ' 85' ' ' LEU . 2.7 mmt -49.49 -39.1 32.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.623 HG21 ' HB2' ' A' ' 66' ' ' LYS . 59.1 t -70.5 -46.89 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.6 mt -53.28 -58.3 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.1 pp -87.38 155.42 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.36 -69.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.8 mm -105.74 123.58 38.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.679 0.752 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.8 Cg_endo -69.74 156.4 63.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.88 108.59 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -45.44 -51.86 10.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.0 mt -47.41 -57.15 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.5 m -51.49 -71.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.5 t -38.03 -57.61 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.4 mtp -49.26 -43.57 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.2 m -57.56 -39.63 77.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.442 ' CZ ' HD11 ' A' ' 108' ' ' ILE . 31.8 t80 -73.17 -43.68 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.631 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.2 mt -54.65 -51.13 66.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.545 ' CE1' HD22 ' A' ' 14' ' ' LEU . 29.9 m-85 -47.31 -30.21 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -69.04 -59.37 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.626 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.7 mp -52.11 -47.1 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -62.63 -34.75 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.89 -51.5 25.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.556 ' NE2' HD12 ' A' ' 79' ' ' ILE . 32.2 t60 -46.09 -47.35 17.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -76.04 -57.75 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 t -114.76 118.82 34.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.3 m -97.73 174.74 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.27 -156.52 1.2 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.421 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 140.65 43.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 55.5 m -71.47 164.52 25.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.4 t -140.09 144.39 36.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -141.11 125.51 17.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m 46.97 43.25 13.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.88 166.78 26.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p -146.56 121.71 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m -66.3 96.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.53 119.83 4.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 10' ' ' ALA . 53.8 Cg_endo -69.73 2.53 3.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.9 82.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -171.63 168.31 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.3 m -72.83 -53.16 12.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.1 tt0 -48.02 -48.09 33.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -40.56 -60.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.34 -47.87 77.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.7 tp -51.24 -38.66 53.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' GLN . 40.2 t -75.28 -50.28 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.517 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 87.2 t90 -39.09 -47.46 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.4 m -64.72 -71.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -38.81 -31.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -64.94 -54.79 25.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.562 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.2 m -66.59 -22.67 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.7 ' HB ' HG11 ' A' ' 28' ' ' VAL . 61.0 p -112.91 23.78 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -68.93 -29.01 67.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -107.44 43.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.451 ' CB ' HG21 ' A' ' 28' ' ' VAL . 6.9 m-85 -117.76 174.92 5.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -118.32 117.65 29.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.37 26.35 30.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.7 HG11 ' HB ' ' A' ' 22' ' ' THR . 15.9 t -112.34 103.42 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.377 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -135.01 72.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.711 HD12 ' H ' ' A' ' 30' ' ' ILE . 4.8 mp -60.16 76.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' LYS . 7.0 t -87.44 -19.97 27.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -141.41 -177.94 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' HE1' HD13 ' A' ' 105' ' ' LEU . 15.9 m-85 -125.4 19.86 8.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.4 -62.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.0 p -88.03 -12.97 42.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 t -74.21 -23.47 59.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.524 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 6.9 m95 -116.9 -8.47 11.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.677 ' O ' HG23 ' A' ' 65' ' ' ILE . 22.9 ttt-85 -44.23 -39.08 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -78.98 -45.92 19.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.76 24.24 5.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.81 -71.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.332 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.503 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.0 m -42.78 -46.36 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -52.49 -46.42 66.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.7 m -74.77 -29.78 61.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -68.37 -43.73 76.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mt -58.28 -56.47 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.586 HD11 HD13 ' A' ' 54' ' ' LEU . 55.6 tp -58.98 -27.27 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.409 ' HB2' HD13 ' A' ' 55' ' ' ILE . 56.4 t-80 -78.57 -18.14 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 76.0 t60 -68.76 -50.4 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.478 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 28.5 m-85 -69.17 -52.05 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 2.3 mmm-85 -132.94 103.8 12.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.7 Cg_endo -69.72 3.04 2.98 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -112.9 27.71 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 47' ' ' LEU . 15.9 mt -110.84 -41.15 4.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.688 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -120.51 -177.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.688 ' H ' HG22 ' A' ' 55' ' ' ILE . 55.0 m-20 -115.49 26.56 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 22.9 t80 -50.34 -19.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -63.73 -33.71 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.8 p -121.98 28.25 7.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.4 mt -91.02 -174.72 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 36.8 m-20 -173.5 159.99 3.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.744 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.48 2.74 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.225 . . . . 0.0 112.341 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.444 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.77 -14.28 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 16.4 m-20 -110.49 114.0 27.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.677 HG23 ' O ' ' A' ' 38' ' ' ARG . 82.3 mt -99.46 -39.51 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -78.86 -49.29 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 68' ' ' ASN . 10.0 tt0 -60.77 -69.54 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.478 ' C ' ' O ' ' A' ' 67' ' ' GLU . 20.9 m-20 -32.15 -54.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.408 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 3.9 m-80 -60.96 -51.82 67.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -51.25 -52.07 48.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HE2' HD21 ' A' ' 60' ' ' LEU . 19.7 mtpp -44.18 -51.56 8.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -57.04 -70.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 72' ' ' ALA . 11.2 m-85 -34.49 -40.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.34 -47.38 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -66.48 -55.05 19.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.486 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 48.8 m-85 -56.78 -50.56 71.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.5 -5.63 8.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -73.45 -20.15 60.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.423 HD12 ' NE2' ' A' ' 111' ' ' HIS . 4.5 pt -105.8 -23.16 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.184 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.81 -5.8 2.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.602 HD13 HG13 ' A' ' 108' ' ' ILE . 41.2 mt -71.04 92.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.107 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.544 ' O ' HD12 ' A' ' 84' ' ' LEU . 75.0 m -55.15 127.87 31.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -74.84 123.11 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.606 HD13 ' HD1' ' A' ' 104' ' ' TYR . 7.8 mp -98.08 -47.94 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.614 HD22 HG22 ' A' ' 101' ' ' VAL . 9.5 tp -85.57 160.34 19.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -113.85 147.78 38.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.15 0.97 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.5 p -65.32 -46.52 79.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.493 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.1 m-20 -42.42 -48.85 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.1 mmt -55.75 -36.83 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.9 t -72.07 -41.46 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 89' ' ' ASP . 36.1 mt -58.91 -65.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.538 ' C ' HD12 ' A' ' 93' ' ' LEU . 4.4 pp -81.32 156.79 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.49 -57.84 3.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.533 ' C ' HD13 ' A' ' 93' ' ' LEU . 2.3 mm -115.75 124.07 30.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.63 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.8 m-20 -110.92 101.04 9.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' ASP . 12.5 ttpt -36.95 -52.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 mt -50.3 -50.28 51.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.3 m -57.73 -70.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.614 HG22 HD22 ' A' ' 85' ' ' LEU . 99.4 t -41.34 -60.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.1 mtp -42.68 -49.2 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -52.63 -56.47 15.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.606 ' HD1' HD13 ' A' ' 84' ' ' LEU . 12.3 t80 -50.48 -47.36 57.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.524 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.0 mt -53.36 -59.54 4.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 105' ' ' LEU . 11.7 m-85 -37.54 -32.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' LEU . 24.5 mm-40 -68.7 -44.15 74.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.602 HG13 HD13 ' A' ' 81' ' ' ILE . 3.8 mp -68.31 -54.25 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.517 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 8.8 ttt-85 -55.39 -40.76 71.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.57 80.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.423 ' NE2' HD12 ' A' ' 79' ' ' ILE . 18.2 t60 -51.04 -42.63 60.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.478 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 70.1 m-85 -85.57 -64.19 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.0 t -110.8 117.19 32.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.4 m -111.58 98.16 7.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 40.76 -158.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 91.44 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' SER . 29.7 t -156.54 157.57 35.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' SER . 3.0 m -37.29 150.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -161.01 157.81 26.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.82 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p 42.4 42.25 2.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.74 176.59 19.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 m -96.06 157.49 15.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -108.26 153.58 23.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.38 163.29 10.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 9' ' ' ASN . 53.5 Cg_endo -69.8 -30.55 21.91 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' PRO . 13.5 m120 -34.46 -60.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.94 154.75 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.5 m -90.26 -46.4 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.711 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.4 tt0 -37.72 -40.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.8 p -42.17 -57.3 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' CZ ' ' A' ' 33' ' ' PHE . 45.3 tp -57.55 -63.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD1' HG22 ' A' ' 30' ' ' ILE . 6.4 tp -40.4 -31.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 12' ' ' GLN . 59.6 t -80.24 -50.67 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.599 ' HZ3' HD13 ' A' ' 46' ' ' ILE . 76.4 t90 -35.55 -50.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.513 ' SG ' HD11 ' A' ' 46' ' ' ILE . 34.2 t -67.22 -67.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -42.0 -27.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.84 -56.38 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 17' ' ' TRP . 2.9 m -67.04 -16.47 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.56 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 72.5 p -107.2 25.32 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -68.49 -47.14 67.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -94.41 44.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 14.4 m-85 -118.3 168.56 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -114.11 129.11 56.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.89 48.18 74.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 25' ' ' TYR . 12.2 t -131.8 107.16 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.157 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.88 127.8 31.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.401 HG22 ' CD1' ' A' ' 15' ' ' LEU . 5.3 mp -113.05 86.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.655 HG23 ' ND2' ' A' ' 32' ' ' ASN . 9.5 t -93.86 -30.79 14.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.655 ' ND2' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -148.7 145.94 27.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 105' ' ' LEU . 38.2 m-85 -80.37 39.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 32.0 p -128.84 -68.61 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -86.67 -38.11 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 48.9 m -46.33 -28.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.868 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 14.3 m95 -111.11 -22.19 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 94' ' ' ALA . 5.5 ttp180 -35.32 -57.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.496 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 8.8 p-10 -59.95 -55.56 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.42 -7.55 9.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 62' ' ' PRO . 15.2 mt -51.11 -55.04 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -54.59 -46.63 73.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 9.5 m-85 -53.13 -49.25 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 70.0 m -67.53 -44.7 77.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.98 -54.46 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.599 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 43.0 mt -51.54 -60.45 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.665 ' HG ' HD11 ' A' ' 55' ' ' ILE . 35.1 tp -57.83 -24.41 57.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -77.22 -33.55 56.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.447 ' CA ' ' OH ' ' A' ' 25' ' ' TYR . 3.5 t-160 -59.52 -47.32 85.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CD2' ' CE2' ' A' ' 112' ' ' PHE . 2.0 m-85 -71.15 -38.71 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.81 ' HB2' HD12 ' A' ' 54' ' ' LEU . 6.0 mmt180 -144.95 105.38 4.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.858 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.6 5.42 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.302 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -108.4 -31.48 7.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.81 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.8 mt -47.73 -40.67 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.665 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -125.46 177.08 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.813 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.612 ' H ' HG22 ' A' ' 55' ' ' ILE . 2.7 t70 -108.21 30.12 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -53.92 -21.9 8.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -62.74 -24.23 67.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -130.94 28.72 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.1 mt -92.95 -174.84 3.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 41.5 m-20 -172.1 159.62 4.39 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' HB3' HD11 ' A' ' 41' ' ' LEU . 53.5 Cg_endo -69.85 3.17 2.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.93 -10.53 59.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.427 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 16.0 m-20 -114.6 113.55 24.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.1 mt -95.31 -52.4 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 15.4 ttpp -68.5 -55.4 11.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 3.0 tp10 -52.45 -67.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' GLU . 54.2 m-20 -35.33 -40.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.4 m-80 -75.43 -47.75 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' GLU . 18.4 ttpt -56.14 -40.96 74.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -53.89 -48.73 69.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.563 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -63.2 -63.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.442 ' CZ ' ' O ' ' A' ' 85' ' ' LEU . 22.6 m-85 -39.09 -35.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.33 -38.98 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -72.64 -60.69 3.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 46.3 m-85 -50.95 -49.79 59.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.08 -27.18 68.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 t -48.81 -32.85 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 76' ' ' PHE . 8.7 pt -93.8 -31.1 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.15 -23.69 0.59 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.543 HD13 HG13 ' A' ' 108' ' ' ILE . 97.4 mt -57.37 90.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.3 m -47.04 171.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.45 106.16 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.65 HD13 ' HD1' ' A' ' 104' ' ' TYR . 6.9 mp -88.25 -36.38 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.446 HD22 HG22 ' A' ' 101' ' ' VAL . 15.7 tp -105.07 140.44 38.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -99.21 148.32 34.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.403 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.77 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.472 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 90.7 p -53.63 -55.44 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.438 ' HA ' HD12 ' A' ' 92' ' ' LEU . 5.4 m-20 -38.59 -47.98 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.9 mmt -50.78 -45.54 59.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.69 -46.89 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 89' ' ' ASP . 29.2 mt -55.38 -69.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.96 147.2 48.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.422 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -69.31 -48.03 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.2 mm -128.42 123.35 22.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.488 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.7 Cg_endo -69.76 151.01 68.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.317 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.79 109.97 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -49.16 -44.69 43.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.37 -51.88 66.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.5 m -57.51 -55.59 32.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.446 HG22 HD22 ' A' ' 85' ' ' LEU . 87.9 t -53.27 -61.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.4 mtp -46.57 -41.7 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.7 m -56.78 -54.33 47.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.65 ' HD1' HD13 ' A' ' 84' ' ' LEU . 17.3 t80 -53.94 -58.85 5.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.868 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.1 mt -42.72 -57.31 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' LEU . 19.1 m-85 -36.84 -34.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 105' ' ' LEU . 65.8 mm-40 -65.75 -56.59 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.3 mp -57.56 -62.46 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.421 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 22.9 ttt180 -47.87 -36.06 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.14 -31.77 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -67.4 -48.91 65.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.701 ' CE2' ' CD2' ' A' ' 50' ' ' PHE . 36.6 m-85 -79.72 -42.31 24.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -130.77 103.0 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.6 p -100.52 140.6 34.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.39 -179.25 21.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 101.1 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 0.0 112.388 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.7 m -129.84 176.5 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -157.1 151.73 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.2 tm0? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' OE1' ' A' ' 12' ' ' GLN . 9.3 t -43.81 -48.83 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' VAL . 32.0 tp -65.72 -68.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' CD1' HG22 ' A' ' 30' ' ' ILE . 4.9 tp -37.57 -30.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 12' ' ' GLN . 89.5 t -81.22 -49.38 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.402 ' O ' HG13 ' A' ' 21' ' ' VAL . 83.1 t90 -48.3 -44.31 33.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' SG ' HG21 ' A' ' 30' ' ' ILE . 8.8 p -71.28 -45.52 62.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG3' HD13 ' A' ' 30' ' ' ILE . 39.1 mtpt -65.24 -22.33 66.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -75.27 -61.77 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.481 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.4 m -58.36 -18.9 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.777 ' HB ' HG11 ' A' ' 28' ' ' VAL . 77.9 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.777 HG11 ' HB ' ' A' ' 22' ' ' THR . 56.2 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 31' ' ' THR . 19.5 tttp -121.51 86.84 2.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.1 mp -64.96 73.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' LYS . 32.8 p -79.98 -38.79 31.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.6 OUTLIER -136.59 165.49 25.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 34.1 m-85 -101.88 6.92 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.424 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 25.3 p -107.32 -60.81 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 38' ' ' ARG . 22.2 p -80.94 -54.06 5.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' ASN . 1.8 t -37.34 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.756 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 16.0 m95 -106.7 -21.51 13.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 65' ' ' ILE . 27.9 ttp180 -37.53 -49.09 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 p30 -73.57 -51.33 17.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.37 34.48 1.1 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 41' ' ' LEU . 14.6 mt -81.8 -61.7 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.518 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 50.7 m -53.34 -33.89 55.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -62.06 -43.09 99.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.3 m -78.85 -34.37 45.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -61.24 -47.24 86.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.62 -59.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 55' ' ' ILE . 35.7 tp -54.81 -28.75 51.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 53.9 t-80 -73.93 -29.69 62.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.481 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 25.1 t60 -59.17 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -75.47 -52.62 10.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HB2' HD12 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -127.68 88.1 54.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.583 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -5.05 15.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.226 . . . . 0.0 112.382 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.52 17.33 23.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -104.12 -35.53 8.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.681 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -118.88 -179.11 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.681 ' H ' HG22 ' A' ' 55' ' ' ILE . 4.3 m-20 -111.83 25.43 11.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 23.2 t80 -50.13 -20.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -60.55 -32.47 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -129.22 34.0 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.7 mt -91.81 -175.06 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.7 m120 -173.35 159.71 3.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 3.26 2.87 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.623 2.215 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.45 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.6 pp0? -80.37 -7.72 59.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 14.9 m-20 -117.48 113.59 22.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 38' ' ' ARG . 70.8 mt -96.65 -48.13 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -69.66 -56.12 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' ASN . 2.3 tp10 -54.08 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' GLU . 73.3 m-20 -34.35 -41.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 2.4 m-80 -73.08 -52.79 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -52.32 -48.34 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HE2' HD21 ' A' ' 60' ' ' LEU . 20.1 mtpp -50.26 -45.56 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.98 -67.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.491 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 8.4 m-85 -43.23 -32.17 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -68.02 -42.7 80.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 78' ' ' SER . . . -79.95 -54.93 3.7 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -52.13 -53.64 40.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -65.99 -8.06 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 2.5 t -72.67 -35.79 67.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.782 HD12 ' CE1' ' A' ' 111' ' ' HIS . 11.2 pt -84.42 -23.74 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.48 27.88 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.641 ' CD1' HD11 ' A' ' 79' ' ' ILE . 96.4 mt -99.6 95.91 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.6 m -44.19 138.87 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.06 128.41 35.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 104' ' ' TYR . 43.4 mt -113.2 -40.54 3.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 tp -96.54 150.97 20.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -110.85 146.07 33.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.14 2.79 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 p -61.73 -53.04 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.735 ' HA ' HD12 ' A' ' 92' ' ' LEU . 19.2 m-20 -37.84 -55.78 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mmt -42.56 -40.74 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 t -79.5 -41.91 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 89' ' ' ASP . 38.3 mt -53.08 -27.48 20.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.31 -174.9 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.43 -66.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.109 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.2 mm -107.1 128.06 26.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.424 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.0 Cg_endo -69.76 -178.53 2.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -92.51 107.31 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -48.32 -43.74 33.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.12 -48.89 79.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.7 m -62.28 -62.56 1.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.3 t -42.67 -62.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.6 mtp -44.56 -47.15 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.8 m -52.27 -53.73 40.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.615 ' O ' HD12 ' A' ' 108' ' ' ILE . 25.1 t80 -59.28 -46.11 89.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.756 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 13.7 mt -52.36 -56.87 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -41.38 -43.1 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -53.78 -60.18 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.799 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.1 mp -50.82 -55.83 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 -54.4 -34.05 60.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.37 64.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.782 ' CE1' HD12 ' A' ' 79' ' ' ILE . 29.6 t60 -49.34 -62.18 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.911 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.882 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.6 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.7 p -63.9 -40.54 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 105' ' ' LEU . 14.3 tp -57.07 -61.36 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 3.5 tp -53.9 -20.96 6.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 12' ' ' GLN . 49.7 t -90.91 -32.0 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.527 ' O ' HG13 ' A' ' 21' ' ' VAL . 78.7 t90 -65.27 -45.23 85.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.625 ' SG ' HG21 ' A' ' 30' ' ' ILE . 8.5 p -72.06 -31.52 66.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 19.5 mtpt -80.64 -30.01 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -69.23 -49.83 52.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.572 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 4.5 m -67.94 -25.35 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.67 ' CB ' HG11 ' A' ' 28' ' ' VAL . 38.1 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.67 HG11 ' CB ' ' A' ' 22' ' ' THR . 61.9 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.884 0.374 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -119.58 85.8 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.625 HG21 ' SG ' ' A' ' 18' ' ' CYS . 5.3 mp -68.84 74.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -81.59 -30.66 32.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -137.57 -179.51 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.512 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 27.5 m-85 -117.51 24.88 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 35.0 p -124.7 -71.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.662 ' CG2' HD12 ' A' ' 95' ' ' ILE . 77.2 p -75.12 -47.73 27.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 t -44.71 -22.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.68 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 55.5 m95 -110.83 -25.08 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -37.85 -48.66 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -67.04 -46.24 75.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 105.67 29.4 5.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.75 -61.29 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.565 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 74.1 m -50.92 -32.61 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -64.32 -46.2 84.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.0 m -75.01 -37.02 61.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.705 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -60.47 -47.33 86.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 42' ' ' SER . 21.6 mt -57.74 -59.47 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.632 HD21 ' HA3' ' A' ' 75' ' ' GLY . 27.7 tp -57.7 -25.79 60.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 65.1 t-80 -81.64 -21.14 38.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 34.7 t60 -66.21 -59.33 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.441 ' CE2' ' CD2' ' A' ' 112' ' ' PHE . 19.2 m-85 -72.1 -42.04 66.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 1.1 tpm_? -134.15 83.51 44.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.511 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.78 -0.81 7.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -100.74 14.35 31.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.433 ' HG ' ' CG ' ' A' ' 51' ' ' ARG . 32.9 mt -106.1 -27.42 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.721 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -127.7 -176.11 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.721 ' H ' HG22 ' A' ' 55' ' ' ILE . 22.8 t70 -117.33 26.68 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.705 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 13.7 t80 -51.08 -20.01 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -61.58 -31.02 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.4 t -130.63 33.95 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.875 HD11 ' HE3' ' A' ' 71' ' ' LYS . 10.3 mt -91.34 -177.69 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -166.53 160.05 11.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 3.28 2.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.413 ' C ' ' OE1' ' A' ' 63' ' ' GLN . 1.8 pp0? -80.25 -11.75 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -112.04 113.49 25.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.0 mt -102.14 -54.47 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HB2' HG21 ' A' ' 91' ' ' VAL . 1.1 ttmp? -71.86 -33.98 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HG2' ' HZ3' ' A' ' 71' ' ' LYS . 15.2 tt0 -73.43 -61.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.426 ' HA ' ' NZ ' ' A' ' 71' ' ' LYS . 35.5 m-20 -40.5 -51.05 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.575 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.7 m-80 -61.39 -57.95 10.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -43.02 -46.82 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.875 ' HE3' HD11 ' A' ' 60' ' ' LEU . 28.6 mtmm -51.78 -57.79 8.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -51.8 -63.87 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 13.5 m-85 -38.22 -29.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' ALA . 7.9 t70 -77.16 -45.15 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.632 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -71.79 -39.1 60.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 27.5 m-85 -74.62 -46.03 41.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -68.61 -23.4 64.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -58.68 -44.18 90.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 81' ' ' ILE . 11.2 pt -72.93 -35.53 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.29 40.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.697 ' CD1' HD11 ' A' ' 79' ' ' ILE . 64.5 mt -111.23 94.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ILE . 24.8 m -37.38 135.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -86.8 104.6 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 104' ' ' TYR . 59.8 mt -85.35 -53.73 5.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.62 HD22 HG22 ' A' ' 101' ' ' VAL . 11.0 tp -83.94 147.76 27.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -109.15 148.47 38.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.77 -46.66 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.0 t -63.99 -60.33 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -34.44 -46.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.497 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 5.8 mmm -51.51 -46.32 63.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.488 HG21 ' HB2' ' A' ' 66' ' ' LYS . 25.9 t -67.63 -46.75 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 89' ' ' ASP . 74.8 mt -48.01 -63.96 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.476 ' C ' HD12 ' A' ' 93' ' ' LEU . 4.7 pp -79.75 174.83 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.33 -63.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.662 HD12 ' CG2' ' A' ' 35' ' ' THR . 43.7 mm -114.53 128.78 25.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.4 Cg_endo -69.73 152.23 69.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.381 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.35 99.93 1.28 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.415 ' HB2' ' CG2' ' A' ' 34' ' ' THR . 26.1 ttpt -39.28 -47.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 74.2 mt -51.13 -51.11 56.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 101' ' ' VAL . 27.5 m -58.6 -72.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.62 HG22 HD22 ' A' ' 85' ' ' LEU . 95.4 t -36.75 -58.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.9 mtp -46.26 -49.1 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.3 m -54.21 -33.65 58.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 108' ' ' ILE . 27.1 t80 -76.56 -44.45 34.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.68 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 16.6 mt -53.74 -51.29 63.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -47.17 -36.99 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.563 ' O ' ' CD2' ' A' ' 111' ' ' HIS . 51.8 mm-40 -61.92 -61.37 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.795 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.1 mp -53.47 -57.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.413 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -53.47 -34.75 59.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.15 -56.1 10.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 107' ' ' GLN . 57.3 m-70 -56.87 -52.16 66.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.441 ' CD2' ' CE2' ' A' ' 50' ' ' PHE . 10.3 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 m -45.27 -37.95 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.9 tp -60.96 -66.91 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -42.15 -42.69 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.79 -48.86 68.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.486 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 86.6 t90 -45.47 -48.25 13.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.514 ' O ' HG22 ' A' ' 21' ' ' VAL . 7.4 m -64.74 -67.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -43.76 -24.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.35 -57.68 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.661 HG23 HG23 ' A' ' 22' ' ' THR . 6.3 m -60.82 -25.33 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.786 ' HB ' HG11 ' A' ' 28' ' ' VAL . 65.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.786 HG11 ' HB ' ' A' ' 22' ' ' THR . 57.7 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.877 0.37 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' CG ' HG23 ' A' ' 31' ' ' THR . 2.7 tppp? -121.71 108.43 13.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mp -93.25 75.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.481 HG23 ' CG ' ' A' ' 29' ' ' LYS . 3.3 p -79.42 -29.41 41.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -139.5 179.64 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 35.3 m-85 -118.4 23.12 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 96' ' ' PRO . 23.5 p -117.44 -73.31 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.3 p -80.66 -40.26 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 t -45.72 -26.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.748 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 28.4 m95 -110.35 -21.01 12.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.49 ' NH1' HD13 ' A' ' 65' ' ' ILE . 15.2 ttt-85 -39.82 -44.93 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -68.99 -52.39 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.1 30.65 2.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 mt -81.67 -66.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.438 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 53.2 m -46.52 -39.96 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 15.1 m-85 -56.82 -56.08 26.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.6 m -65.29 -37.32 86.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -60.78 -47.2 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.556 HG12 HG21 ' A' ' 21' ' ' VAL . 62.6 mt -55.93 -59.41 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.499 ' HG ' HD11 ' A' ' 55' ' ' ILE . 40.4 tp -53.67 -31.07 46.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 33.9 t-80 -74.53 -34.03 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 32.6 t60 -53.84 -47.71 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -76.89 -44.53 31.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.821 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.9 mmt180 -133.12 96.95 17.02 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.606 0.717 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 3.53 2.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -120.87 28.36 7.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.821 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -109.98 -37.21 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.728 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -122.3 -177.18 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' ILE . 27.7 m-20 -113.86 29.61 7.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 20.1 t80 -54.32 -26.13 27.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -61.77 -20.66 63.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -132.09 26.61 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.9 mt -92.47 -175.15 3.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.9 m120 -171.49 159.62 4.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 2.97 3.1 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.84 -8.33 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.42 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 10.5 m-20 -116.57 112.68 21.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.49 HD13 ' NH1' ' A' ' 38' ' ' ARG . 14.3 mt -95.8 -48.3 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.593 ' HB2' HG21 ' A' ' 91' ' ' VAL . 1.3 ttmp? -75.52 -49.86 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' ASN . 11.5 tt0 -58.92 -65.06 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' GLU . 29.8 m-20 -34.93 -56.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.498 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 17.1 m-80 -59.89 -48.24 82.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -52.41 -44.84 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -47.42 -55.59 8.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -58.13 -65.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 19.6 m-85 -34.63 -48.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -57.82 -45.86 85.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -73.49 -55.93 5.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.555 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 18.8 m-85 -50.27 -52.15 38.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.84 -7.54 28.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 4.0 t -74.31 -38.14 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.446 HD12 ' NE2' ' A' ' 111' ' ' HIS . 6.2 pt -83.39 -29.27 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.06 32.17 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.3 mt -105.92 102.08 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.147 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.2 m -56.68 111.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -67.8 102.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 104' ' ' TYR . 62.5 mt -78.24 -48.41 15.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.44 HD21 ' CE ' ' A' ' 90' ' ' MET . 18.1 tp -83.31 154.8 23.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -112.79 144.7 31.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.711 0.767 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.1 Cg_endo -69.81 -46.44 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.298 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.3 m -60.09 -48.01 83.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -43.62 -49.98 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.44 ' CE ' HD21 ' A' ' 85' ' ' LEU . 3.7 mmt -46.95 -38.22 10.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.593 HG21 ' HB2' ' A' ' 66' ' ' LYS . 33.6 t -79.83 -45.9 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.5 mt -48.86 -60.48 2.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.2 pp -88.39 -178.78 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.429 ' N ' HD12 ' A' ' 93' ' ' LEU . . . -96.42 -65.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.463 ' O ' HD13 ' A' ' 93' ' ' LEU . 36.4 mm -109.38 125.07 32.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.401 ' HG3' ' O ' ' A' ' 34' ' ' THR . 53.7 Cg_endo -69.81 159.08 54.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.375 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LYS . 0.7 OUTLIER -79.99 98.45 7.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 97' ' ' ASP . 23.0 ttpt -35.62 -54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.4 mt -44.56 -48.3 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.0 m -63.4 -62.0 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.9 t -47.79 -61.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 24.9 mtp -42.56 -47.34 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.6 m -54.47 -54.43 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.512 ' HA ' HD12 ' A' ' 84' ' ' LEU . 39.5 t80 -53.88 -54.32 40.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.748 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 17.6 mt -42.81 -60.58 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -38.43 -37.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -59.81 -55.26 36.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -58.08 -58.88 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.486 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.42 -41.03 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.89 -46.01 79.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.446 ' NE2' HD12 ' A' ' 79' ' ' ILE . 41.3 t60 -47.21 -60.68 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.6 ' O ' HG23 ' A' ' 16' ' ' VAL . 36.0 tp60 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 t -42.19 -50.52 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.65 -59.92 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -38.85 -41.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 12' ' ' GLN . 37.6 t -68.84 -56.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 78.7 t90 -41.91 -49.06 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 m -61.24 -48.76 79.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -65.28 -24.66 67.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.46 -60.29 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.572 HG23 HG23 ' A' ' 22' ' ' THR . 3.8 m -58.22 -18.52 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.747 ' HB ' HG11 ' A' ' 28' ' ' VAL . 68.6 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.747 HG11 ' HB ' ' A' ' 22' ' ' THR . 75.6 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.9 0.381 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -117.13 103.18 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -84.62 58.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 48.3 p -71.26 -27.35 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -140.01 171.14 14.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -114.5 34.57 4.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.512 ' HB ' HG23 ' A' ' 95' ' ' ILE . 20.8 p -131.59 -67.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 37' ' ' TRP . 63.5 p -80.47 -49.2 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -38.89 -27.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.848 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 26.9 m95 -107.33 -26.95 10.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.607 ' NH1' HD13 ' A' ' 65' ' ' ILE . 23.6 ttp85 -35.76 -49.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -66.43 -46.78 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.79 29.36 4.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -80.85 -68.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.587 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.2 m -43.63 -37.78 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.44 -54.85 41.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.9 m -66.79 -35.97 81.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.636 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -62.33 -49.15 76.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.521 HG12 HG21 ' A' ' 21' ' ' VAL . 73.0 mt -55.84 -54.71 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 44.5 tp -62.0 -24.7 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.474 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.6 t-80 -79.83 -30.65 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -55.12 -62.44 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -61.01 -51.94 67.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.596 ' HB3' HD12 ' A' ' 54' ' ' LEU . 14.2 tpp180 -129.4 93.28 36.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.474 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 2.97 3.06 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -112.9 28.6 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 51' ' ' ARG . 13.1 mt -114.01 -34.15 5.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.744 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.35 -176.4 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.744 ' H ' HG22 ' A' ' 55' ' ' ILE . 2.6 m-20 -112.78 28.98 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.636 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 23.3 t80 -55.79 -18.48 8.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -68.88 -21.05 64.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -132.76 23.6 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.523 HD21 ' NZ ' ' A' ' 71' ' ' LYS . 9.4 mt -86.78 -174.94 5.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.2 m120 -171.63 159.91 4.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.29 2.85 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.737 2.292 . . . . 0.0 112.328 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' C ' ' OE1' ' A' ' 63' ' ' GLN . 1.7 pp0? -80.13 -11.47 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -112.05 114.23 26.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.607 HD13 ' NH1' ' A' ' 38' ' ' ARG . 18.5 mt -100.39 -44.13 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' HB2' HG21 ' A' ' 91' ' ' VAL . 13.9 ttpt -79.34 -42.75 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 68' ' ' ASN . 4.5 tp10 -66.55 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' GLU . 21.3 m-20 -35.59 -53.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.1 m-80 -62.28 -47.32 84.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -53.33 -47.18 69.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.523 ' NZ ' HD21 ' A' ' 60' ' ' LEU . 29.0 mttt -47.85 -59.53 3.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.813 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -48.48 -71.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' ALA . 7.9 m-85 -34.07 -51.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -51.96 -46.22 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.89 -54.32 4.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.813 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 29.0 m-85 -49.84 -56.12 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.46 -8.56 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.051 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 3.2 t -74.31 -37.46 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.483 HD11 HD11 ' A' ' 81' ' ' ILE . 6.1 pt -83.45 -31.36 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.7 35.83 0.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.483 HD11 HD11 ' A' ' 79' ' ' ILE . 16.8 mt -109.47 93.63 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.7 p -44.27 129.64 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.22 124.5 28.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 104' ' ' TYR . 53.4 mt -107.43 -50.82 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.7 tp -90.2 147.62 23.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -102.28 145.85 31.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.732 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.42 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.3 Cg_endo -69.78 -43.22 2.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.64 2.227 . . . . 0.0 112.337 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.42 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . 88.2 p -67.06 -50.87 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.721 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.5 m-20 -36.67 -47.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.2 mmt -50.13 -47.84 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 66' ' ' LYS . 23.8 t -68.17 -49.34 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 89' ' ' ASP . 61.1 mt -41.94 -59.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.647 ' C ' HD12 ' A' ' 93' ' ' LEU . 1.1 pp -95.06 -179.43 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.42 -67.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.512 HG23 ' HB ' ' A' ' 34' ' ' THR . 28.5 mm -111.08 130.31 23.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.623 0.725 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.18 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.242 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 98' ' ' LYS . 23.8 m-20 -100.03 98.17 8.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 97' ' ' ASP . 16.6 tttp -34.33 -54.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.2 mt -51.11 -54.58 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 98.7 m -53.56 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.6 t -43.27 -60.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.8 mtp -47.93 -47.14 32.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.3 m -51.01 -51.68 50.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.492 ' HA ' HD12 ' A' ' 84' ' ' LEU . 14.5 t80 -59.9 -50.24 74.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.848 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 12.2 mt -47.06 -59.61 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 105' ' ' LEU . 21.9 m-85 -37.57 -43.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -53.87 -60.66 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.657 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -48.17 -53.4 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 31.9 ttt-85 -60.79 -36.85 80.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.51 84.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -52.96 -61.58 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 16' ' ' VAL . 28.7 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' GLN . 68.3 m -36.3 -70.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.92 HD22 ' CE1' ' A' ' 106' ' ' TYR . 47.2 tp -44.85 -53.04 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -52.16 -33.16 39.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 12' ' ' GLN . 60.4 t -76.54 -46.28 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.526 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 75.0 t90 -48.68 -45.78 39.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.493 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.8 m -71.05 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -48.9 -26.21 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -73.12 -56.86 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.63 HG23 HG23 ' A' ' 22' ' ' THR . 14.1 m -62.52 -23.34 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.723 ' HB ' HG11 ' A' ' 28' ' ' VAL . 32.7 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.723 HG11 ' HB ' ' A' ' 22' ' ' THR . 71.3 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.922 0.392 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -119.0 93.33 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -73.35 67.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m -80.71 -18.73 46.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -143.12 179.97 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CD1' ' SD ' ' A' ' 102' ' ' MET . 25.8 m-85 -124.9 22.07 8.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.0 p -126.76 -70.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.3 p -74.93 -46.28 36.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -45.16 -25.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.488 ' CH2' HD21 ' A' ' 105' ' ' LEU . 56.4 m95 -106.45 -24.72 12.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.482 ' NH1' HD13 ' A' ' 65' ' ' ILE . 19.5 ttp85 -37.05 -53.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -61.67 -42.82 99.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.02 33.24 4.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -87.02 -65.88 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.483 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 58.5 m -49.68 -27.4 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -69.66 -49.1 56.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.6 m -72.2 -40.75 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.09 -54.91 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.429 HG12 HG21 ' A' ' 21' ' ' VAL . 30.9 mt -48.68 -65.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.574 ' HG ' HD11 ' A' ' 55' ' ' ILE . 35.9 tp -50.58 -26.59 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 46.3 t-80 -74.69 -36.72 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 10.0 t60 -50.29 -55.55 14.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.54 -43.47 63.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.3 mmp_? -134.97 93.43 17.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.528 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 3.29 2.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -108.69 -28.43 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.6 mt -53.31 -34.44 57.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.73 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -122.65 -177.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.73 ' H ' HG22 ' A' ' 55' ' ' ILE . 27.3 t70 -115.3 27.44 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 13.4 t80 -54.16 -20.31 6.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -63.55 -23.24 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.2 t -134.4 30.3 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.485 HD21 ' HE3' ' A' ' 71' ' ' LYS . 10.1 mt -92.21 -174.83 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.7 m120 -173.33 159.75 3.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.39 2.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.6 pp0? -81.08 -5.37 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 9.5 m-20 -120.38 113.3 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.482 HD13 ' NH1' ' A' ' 38' ' ' ARG . 15.8 mt -97.83 -46.77 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -74.88 -48.46 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 37.7 tt0 -61.34 -65.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' GLU . 17.3 m-20 -35.19 -55.42 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.411 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.9 m-80 -61.33 -46.23 91.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -55.03 -38.27 67.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.485 ' HE3' HD21 ' A' ' 60' ' ' LEU . 11.5 mttm -52.28 -54.35 32.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.559 ' HB1' ' CD2' ' A' ' 76' ' ' PHE . . . -57.98 -64.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.107 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD2' ' HD3' ' A' ' 87' ' ' PRO . 16.3 m-85 -37.83 -28.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' ALA . 19.6 t70 -85.59 -41.66 15.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.44 -50.93 8.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 19.2 m-85 -58.31 -31.3 67.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.71 -4.2 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.4 m -71.59 -35.61 70.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.652 ' H ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -91.2 -36.22 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.52 42.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.8 mt -107.62 88.29 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.6 m -40.63 130.06 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -81.88 115.67 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.646 HD11 ' NE2' ' A' ' 107' ' ' GLN . 67.4 mt -98.4 -50.31 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.437 HD21 ' SD ' ' A' ' 90' ' ' MET . 19.9 tp -85.43 147.27 26.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -105.0 148.15 35.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.416 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.7 Cg_endo -69.79 -45.76 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.0 p -62.59 -41.63 99.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -48.36 -50.7 29.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.437 ' SD ' HD21 ' A' ' 85' ' ' LEU . 4.0 mmt -50.6 -28.02 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.4 t -87.72 -46.31 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.8 mt -47.49 -68.07 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.4 pp -81.89 176.16 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.21 -64.19 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.441 ' O ' HD13 ' A' ' 93' ' ' LEU . 4.8 mm -112.94 125.78 29.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.23 19.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 100' ' ' THR . 5.9 m-20 -83.79 96.2 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 97' ' ' ASP . 21.7 tttt -34.33 -41.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.3 -49.95 74.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 103' ' ' THR . 89.6 m -59.32 -73.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' THR . 98.0 t -34.42 -56.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.568 ' SD ' HD23 ' A' ' 14' ' ' LEU . 26.1 mmm -52.29 -42.65 63.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 100' ' ' THR . 97.9 m -57.64 -38.46 75.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -73.01 -43.49 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.488 HD21 ' CH2' ' A' ' 37' ' ' TRP . 14.1 mt -52.21 -55.26 22.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.92 ' CE1' HD22 ' A' ' 14' ' ' LEU . 23.8 m-85 -41.73 -34.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.646 ' NE2' HD11 ' A' ' 84' ' ' LEU . 24.6 mt-30 -63.14 -59.16 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.0 mp -51.09 -58.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.526 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 9.2 ttt-85 -55.08 -39.41 69.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.12 -51.84 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -51.71 -67.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.707 ' O ' HG23 ' A' ' 16' ' ' VAL . 35.9 tp60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -52.7 -50.56 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 106' ' ' TYR . 31.3 tp -58.86 -65.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' CD1' HG22 ' A' ' 30' ' ' ILE . 7.7 tp -39.38 -42.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 12' ' ' GLN . 31.2 t -76.74 -35.13 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.571 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 41.8 t90 -45.29 -49.07 12.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.625 ' SG ' HD11 ' A' ' 30' ' ' ILE . 52.6 t -69.62 -56.04 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.922 ' HG3' HD13 ' A' ' 30' ' ' ILE . 8.1 mtpm? -52.57 -17.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -81.37 -56.71 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.5 m -68.91 -20.6 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.528 ' HB ' HG11 ' A' ' 28' ' ' VAL . 44.0 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 22' ' ' THR . 32.5 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -120.37 143.91 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.922 HD13 ' HG3' ' A' ' 19' ' ' LYS . 5.2 mp -118.57 56.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.5 m -74.19 -17.61 60.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.172 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -145.79 176.26 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CE1' HD13 ' A' ' 105' ' ' LEU . 8.5 m-85 -120.99 24.67 10.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.453 HG22 ' HG2' ' A' ' 96' ' ' PRO . 0.7 OUTLIER -134.5 -69.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.5 p -74.5 -31.45 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -61.36 -29.12 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 22.9 m95 -107.09 -18.49 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.1 ttt-85 -37.93 -49.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -64.82 -55.3 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.7 26.55 2.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -78.85 -69.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.541 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 63.4 m -43.32 -33.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 9.4 m-85 -65.51 -54.02 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.7 m -65.78 -39.31 90.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.54 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -59.91 -47.07 87.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mt -56.94 -53.1 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.61 HD21 ' HA3' ' A' ' 75' ' ' GLY . 44.6 tp -63.68 -29.39 70.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 61.5 t-80 -74.52 -33.99 62.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 72.7 t60 -52.95 -60.59 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -61.81 -51.17 69.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.637 ' HB3' HD12 ' A' ' 54' ' ' LEU . 8.2 tpp180 -132.84 94.54 21.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.822 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.77 0.58 5.45 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -107.58 20.26 19.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 51' ' ' ARG . 12.4 mt -107.52 -34.6 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.683 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -122.25 -179.61 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.683 ' H ' HG22 ' A' ' 55' ' ' ILE . 5.2 t0 -112.33 31.31 6.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 12.0 t80 -56.81 -21.32 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -64.33 -20.35 66.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -133.85 25.79 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.6 mt -89.3 -174.64 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 4.8 m120 -173.68 160.21 3.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.83 2.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.421 ' C ' ' CD ' ' A' ' 63' ' ' GLN . 1.5 pp0? -82.35 -4.79 57.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -119.65 113.64 20.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 ' HA ' ' A' ' 39' ' ' ASN . 26.9 mt -98.7 -43.72 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 21.8 ttpt -76.9 -51.99 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 68' ' ' ASN . 3.7 tp10 -56.54 -66.23 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 67' ' ' GLU . 53.3 m-20 -34.37 -49.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.2 m-80 -62.99 -52.09 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -52.79 -44.68 66.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -49.0 -58.51 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -55.0 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.471 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 13.6 m-30 -37.85 -39.06 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.43 -42.08 83.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.61 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -74.39 -58.43 4.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 34.8 m-85 -52.7 -46.15 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -72.29 0.41 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -85.75 -32.54 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.59 HD12 ' NE2' ' A' ' 111' ' ' HIS . 4.1 pt -87.11 -30.84 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.17 33.71 0.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.505 HD13 HG13 ' A' ' 108' ' ' ILE . 36.3 mt -106.71 87.55 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.5 m -47.94 107.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 151.92 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 104' ' ' TYR . 33.2 mt -131.48 -49.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.532 HD22 HG22 ' A' ' 101' ' ' VAL . 13.0 tp -82.59 157.24 23.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 89' ' ' ASP . 15.9 mt-10 -106.84 142.78 25.72 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.635 0.731 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -43.41 2.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.442 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 59.9 p -68.53 -38.71 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.425 ' CG ' ' HB2' ' A' ' 86' ' ' GLU . 6.8 m-20 -49.05 -51.07 33.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -49.0 -19.57 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.418 HG21 ' HB2' ' A' ' 66' ' ' LYS . 24.8 t -99.82 -41.97 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.7 mt -51.06 -33.02 23.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.87 178.43 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.57 -66.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mm -107.72 128.74 25.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.453 ' HG2' HG22 ' A' ' 34' ' ' THR . 53.5 Cg_endo -69.8 -171.14 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.99 98.0 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -38.19 -39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.42 -54.16 44.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.416 ' CG2' HD13 ' A' ' 85' ' ' LEU . 4.1 m -57.77 -67.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.532 HG22 HD22 ' A' ' 85' ' ' LEU . 61.2 t -39.74 -60.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.409 ' HE3' ' CD2' ' A' ' 33' ' ' PHE . 2.3 mtp -42.99 -52.55 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.5 m -47.54 -44.79 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.556 ' HA ' HD12 ' A' ' 84' ' ' LEU . 11.3 t80 -67.39 -47.61 69.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.473 HD13 ' CE1' ' A' ' 33' ' ' PHE . 20.4 mt -51.32 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.451 ' CE1' HD22 ' A' ' 14' ' ' LEU . 43.7 m-85 -34.24 -40.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -60.02 -56.83 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.676 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.0 mp -53.66 -50.67 49.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.571 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 18.6 ttp180 -60.03 -39.1 84.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.55 76.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.59 ' NE2' HD12 ' A' ' 79' ' ' ILE . 32.1 t60 -48.03 -50.54 27.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 16' ' ' VAL . 32.8 tt0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 p -42.07 -68.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' TRP . 20.5 tp -41.45 -60.18 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -46.06 -30.24 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 12' ' ' GLN . 84.8 t -87.68 -26.76 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.54 ' O ' HG13 ' A' ' 21' ' ' VAL . 74.0 t90 -68.34 -38.45 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.53 ' SG ' HG21 ' A' ' 30' ' ' ILE . 16.6 p -75.92 -49.89 16.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -61.77 -16.15 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -81.55 -57.04 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 17' ' ' TRP . 2.0 m -65.86 -21.21 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.798 ' HB ' HG11 ' A' ' 28' ' ' VAL . 80.4 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.798 HG11 ' HB ' ' A' ' 22' ' ' THR . 60.9 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.885 0.374 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 130.91 50.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.53 HG21 ' SG ' ' A' ' 18' ' ' CYS . 5.2 mp -120.28 84.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.523 HG23 ' ND2' ' A' ' 32' ' ' ASN . 6.7 t -98.04 -24.13 15.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.523 ' ND2' HG23 ' A' ' 31' ' ' THR . 5.3 m-20 -146.52 164.09 33.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -105.41 40.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 96' ' ' PRO . 19.9 p -133.33 -74.41 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 95' ' ' ILE . 35.2 p -79.66 -39.66 30.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -45.25 -31.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 36.2 m95 -104.98 -21.16 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 65' ' ' ILE . 8.0 ttt-85 -40.13 -40.37 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 5.3 p-10 -74.94 -57.05 4.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.83 -22.56 4.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 mt -38.36 -54.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.585 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 51.9 m -59.24 -41.48 88.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.65 -51.13 70.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' ALA . 90.8 m -68.06 -59.44 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.619 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -34.53 -48.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.8 mt -55.27 -59.99 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.747 ' HG ' HD11 ' A' ' 55' ' ' ILE . 37.7 tp -56.36 -24.05 41.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.598 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 12.2 t-80 -75.5 -33.84 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.48 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 26.7 t60 -54.76 -47.3 74.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -73.36 -44.35 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 5.3 mmm180 -143.74 105.82 4.97 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.598 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 3.18 2.93 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.46 -42.3 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -41.72 -34.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.747 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -125.11 -175.8 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' ILE . 19.9 m-20 -117.79 26.73 9.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.619 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 15.9 t80 -52.38 -20.12 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -61.24 -26.42 67.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -133.3 33.3 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.7 mt -94.98 -175.42 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 5.5 m120 -171.9 159.78 4.59 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.5 2.76 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.445 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -78.9 -17.42 55.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 18.3 m-20 -106.26 114.67 28.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.62 HG23 ' O ' ' A' ' 38' ' ' ARG . 39.7 mt -97.03 -48.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 20.1 ttpt -74.3 -51.52 14.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 68' ' ' ASN . 18.2 tt0 -57.08 -64.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' GLU . 36.0 m-20 -36.56 -50.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.2 m-80 -64.46 -47.5 78.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -54.55 -52.14 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -46.49 -37.77 8.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.723 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -69.9 -69.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.458 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 19.0 m-85 -35.78 -41.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -63.56 -45.1 92.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -71.7 -52.02 13.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.723 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 62.3 m-85 -60.42 -49.5 77.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -63.75 -12.07 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 t -67.24 -29.39 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.617 HD12 ' NE2' ' A' ' 111' ' ' HIS . 7.9 pt -95.71 -29.04 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.95 -23.71 0.9 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.496 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.626 HD13 HG13 ' A' ' 108' ' ' ILE . 95.5 mt -52.44 98.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -48.5 177.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 76.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 104' ' ' TYR . 0.6 OUTLIER -56.65 -52.39 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.456 HD21 ' SD ' ' A' ' 90' ' ' MET . 15.9 tp -104.39 160.0 15.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -111.59 149.26 40.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.458 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.4 Cg_endo -69.76 -46.97 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.474 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 90.4 p -64.25 -46.31 84.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.634 ' HA ' HD12 ' A' ' 92' ' ' LEU . 5.9 m-20 -45.01 -51.35 10.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.456 ' SD ' HD21 ' A' ' 85' ' ' LEU . 3.2 mmt -49.78 -30.38 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.462 HG21 ' HB2' ' A' ' 66' ' ' LYS . 3.3 t -86.73 -43.69 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 89' ' ' ASP . 76.7 mt -47.85 -46.41 31.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 93' ' ' LEU . 1.5 pp -103.9 167.79 9.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.03 -50.37 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 35' ' ' THR . 45.7 mm -124.13 127.25 25.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.4 ' HG3' ' O ' ' A' ' 34' ' ' THR . 54.1 Cg_endo -69.75 173.29 11.18 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 98' ' ' LYS . 21.3 m-20 -91.58 95.14 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' ASP . 7.1 tmtt? -34.42 -45.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.4 mt -53.92 -49.11 69.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' ASP . 98.3 m -65.78 -55.99 14.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.6 t -46.62 -64.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -41.27 -51.28 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.9 m -47.26 -52.97 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 84' ' ' LEU . 11.4 t80 -55.83 -59.77 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.61 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 31.6 mt -44.58 -56.19 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -42.32 -35.09 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -64.16 -49.97 70.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.626 HG13 HD13 ' A' ' 81' ' ' ILE . 4.3 mp -62.48 -58.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.465 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 6.0 ttt85 -47.2 -36.27 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.33 -41.46 56.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.617 ' NE2' HD12 ' A' ' 79' ' ' ILE . 4.2 t60 -51.57 -56.09 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.868 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' SER . 22.0 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.791 0.329 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' GLN . 81.8 p -35.97 -56.83 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 15' ' ' LEU . 24.8 tp -58.37 -62.53 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.0 tp -37.42 -39.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' TRP . 84.5 t -73.25 -53.59 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.525 ' CH2' HG22 ' A' ' 108' ' ' ILE . 61.6 t90 -34.35 -43.74 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.481 ' O ' HG22 ' A' ' 21' ' ' VAL . 50.4 t -73.29 -64.35 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -41.16 -36.7 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.5 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 17' ' ' TRP . 4.4 m -54.54 -19.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.605 ' CB ' HG11 ' A' ' 28' ' ' VAL . 43.1 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.605 HG11 ' CB ' ' A' ' 22' ' ' THR . 84.1 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.904 0.383 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -112.69 100.35 8.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -84.48 73.82 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.725 HG23 ' ND2' ' A' ' 32' ' ' ASN . 2.0 t -83.18 -28.94 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.725 ' ND2' HG23 ' A' ' 31' ' ' THR . 5.8 m-80 -137.53 -179.38 5.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 8.2 m-85 -120.55 24.57 10.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 18.0 p -127.78 -62.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.445 ' CG2' HD12 ' A' ' 95' ' ' ILE . 81.7 p -82.03 -50.69 8.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -43.27 -28.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.616 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 43.7 m95 -103.58 -26.83 12.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' TRP . 24.1 ttt-85 -35.92 -52.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 p30 -62.3 -55.02 32.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.93 34.13 1.56 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 62' ' ' PRO . 71.3 mt -90.32 -39.56 12.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.578 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 61.4 m -70.35 -26.92 63.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 33.1 m-85 -74.08 -46.26 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.0 m -75.61 -31.42 59.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -64.88 -44.48 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.403 HG12 HG21 ' A' ' 21' ' ' VAL . 52.6 mt -58.15 -62.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.564 HD11 HD13 ' A' ' 54' ' ' LEU . 33.1 tp -52.26 -22.38 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.1 t-80 -75.39 -45.68 37.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -44.84 -48.68 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -74.37 -49.96 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HB3' HD12 ' A' ' 54' ' ' LEU . 8.7 tpp180 -134.67 99.55 12.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.577 0.703 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.574 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.77 3.42 2.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -104.49 -36.66 7.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' A' ' 51' ' ' ARG . 10.4 mt -45.83 -40.18 9.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.684 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -121.64 -175.09 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 55' ' ' ILE . 47.1 m-20 -117.67 28.09 8.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.564 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 35.6 t80 -51.48 -18.71 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -63.3 -31.17 72.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -128.3 31.75 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.3 mt -91.19 -175.84 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.5 m120 -171.75 159.79 4.73 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.677 0.751 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.451 ' HB3' HD11 ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.75 2.95 3.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.69 -10.58 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 10.9 m-20 -113.42 112.62 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.5 mt -100.54 -45.81 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HB2' HG21 ' A' ' 91' ' ' VAL . 13.4 ttpt -75.6 -42.35 52.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' ASN . 14.0 tt0 -67.89 -67.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 67' ' ' GLU . 31.4 m-20 -34.21 -57.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 8.0 m-80 -56.1 -55.88 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -48.82 -43.33 38.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.401 ' NZ ' ' HB2' ' A' ' 56' ' ' ASP . 6.8 mtpt -49.08 -58.55 4.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -53.56 -66.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.551 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 6.4 m-85 -36.47 -38.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.63 -44.25 64.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -68.2 -45.12 72.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.461 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 54.1 m-85 -72.36 -44.76 62.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -71.17 -10.88 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.5 t -72.66 -31.43 65.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.2 pt -89.82 -38.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.19 -18.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.658 HD13 HG13 ' A' ' 108' ' ' ILE . 65.1 mt -61.1 91.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.2 p -52.45 124.34 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HA ' ' CE1' ' A' ' 104' ' ' TYR . 1.5 ppt_? -74.02 137.62 43.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mp -113.2 -52.78 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -77.53 147.46 35.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.86 142.89 25.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.3 6.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.7 t -69.87 -56.6 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.498 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -38.45 -43.02 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.42 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 9.2 mmm -53.98 -44.8 71.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 66' ' ' LYS . 60.5 t -67.27 -48.48 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 89' ' ' ASP . 37.4 mt -49.82 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.5 pp -77.86 165.07 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.57 -55.66 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.465 ' C ' HD13 ' A' ' 93' ' ' LEU . 34.3 mm -118.43 123.74 29.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.729 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.9 Cg_endo -69.72 179.99 3.29 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.48 111.45 23.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -46.36 -50.62 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.96 -45.52 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.3 m -63.39 -65.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.9 t -42.98 -60.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.8 mtp -45.01 -46.02 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.3 m -50.66 -59.59 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.487 ' CE1' ' HA ' ' A' ' 83' ' ' ARG . 17.7 t80 -51.83 -48.48 63.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.616 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.3 mt -56.47 -51.57 67.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -44.66 -33.01 1.67 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -67.32 -46.11 74.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.658 HG13 HD13 ' A' ' 81' ' ' ILE . 3.7 mp -65.41 -60.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.523 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 27.2 ttt180 -48.14 -39.39 20.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.55 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -51.1 -57.19 9.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.5 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.7 m -38.49 -64.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.515 HD23 ' CE1' ' A' ' 33' ' ' PHE . 17.0 tp -48.13 -57.82 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 3.0 tp -48.08 -30.73 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 12' ' ' GLN . 88.0 t -83.86 -38.49 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.485 ' CG ' ' HG3' ' A' ' 109' ' ' ARG . 84.4 t90 -62.33 -44.86 95.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.15 -42.75 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 23.8 mtpt -68.6 -37.13 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.01 -57.07 14.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.567 HG21 HG12 ' A' ' 46' ' ' ILE . 13.8 m -59.74 -26.02 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.886 ' HB ' HG11 ' A' ' 28' ' ' VAL . 77.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.886 HG11 ' HB ' ' A' ' 22' ' ' THR . 92.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' THR . 19.0 ttmt -120.69 84.4 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 30' ' ' ILE . 5.2 mp -61.27 77.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' LYS . 19.4 p -79.03 -35.32 42.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -139.51 -179.19 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CE1' HD23 ' A' ' 14' ' ' LEU . 42.0 m-85 -117.03 30.23 7.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.0 p -128.31 -62.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' TRP . 68.7 p -87.05 -48.08 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -40.08 -28.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.595 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 30.5 m95 -106.96 -26.34 11.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 65' ' ' ILE . 18.9 ttp85 -34.2 -48.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -65.89 -54.27 28.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.29 -9.18 8.36 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 62' ' ' PRO . 85.8 mt -53.81 -59.52 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.595 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 14.2 m -52.86 -34.21 53.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 6.8 m-85 -65.66 -53.94 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 87.3 m -66.75 -56.41 10.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -35.01 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.567 HG12 HG21 ' A' ' 21' ' ' VAL . 70.1 mt -70.07 -57.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.563 HD23 ' CG1' ' A' ' 55' ' ' ILE . 30.3 tp -59.76 -22.18 61.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.592 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 22.0 t-80 -78.02 -32.48 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -51.76 -56.73 12.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -69.52 -46.65 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -134.85 99.62 12.49 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.592 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.7 3.36 2.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.85 -41.71 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.16 -34.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.712 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.41 -177.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.712 ' H ' HG22 ' A' ' 55' ' ' ILE . 2.5 t70 -116.69 31.69 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 14.0 t80 -54.96 -25.55 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -61.76 -18.11 58.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.0 t -135.03 26.84 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -93.26 -177.96 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.409 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 3.9 m120 -170.36 160.91 6.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.85 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.514 ' HB3' HD11 ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.82 7.63 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.317 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.459 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 2.1 pp0? -84.97 -21.02 29.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.459 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 19.3 m-20 -103.03 114.67 29.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 38' ' ' ARG . 49.6 mt -99.36 -49.94 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.495 ' HB2' HG21 ' A' ' 91' ' ' VAL . 12.4 ttpt -71.52 -51.54 23.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' ASN . 22.5 tt0 -56.44 -63.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 39.8 m-20 -36.4 -58.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.65 -53.28 59.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -48.75 -43.82 38.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -52.56 -51.12 61.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.698 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -56.65 -70.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.526 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 17.7 m-85 -34.6 -47.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.62 -46.18 77.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.99 -55.44 4.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.698 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 20.5 m-85 -49.09 -50.67 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.9 -24.12 65.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 t -54.4 -43.37 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.937 HD12 ' NE2' ' A' ' 111' ' ' HIS . 14.2 pt -76.04 -33.95 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.07 31.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.484 ' CD1' HD11 ' A' ' 79' ' ' ILE . 49.0 mt -101.43 103.11 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -51.92 121.01 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -78.24 116.16 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mp -95.66 -50.04 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.437 HD22 HG22 ' A' ' 101' ' ' VAL . 15.1 tp -90.9 147.5 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -106.54 151.33 40.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.729 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.526 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 54.1 Cg_endo -69.71 -47.71 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 t -56.81 -53.32 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.612 ' HA ' HD12 ' A' ' 92' ' ' LEU . 7.1 m-20 -39.0 -50.29 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mmt -47.84 -40.95 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 66' ' ' LYS . 21.2 t -75.48 -48.23 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 89' ' ' ASP . 77.0 mt -44.26 -67.04 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 95' ' ' ILE . 3.8 pp -86.07 166.97 15.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.49 -72.73 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.438 ' O ' HD13 ' A' ' 93' ' ' LEU . 16.8 mm -109.86 129.1 24.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 179.93 3.33 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.71 105.17 17.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -41.59 -41.08 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.22 -45.39 93.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.7 m -65.56 -55.64 16.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.437 HG22 HD22 ' A' ' 85' ' ' LEU . 97.2 t -52.7 -64.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 mtp -38.31 -51.04 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -46.32 -58.31 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -52.68 -53.81 42.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.507 HD13 ' HE1' ' A' ' 33' ' ' PHE . 17.5 mt -47.21 -56.18 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -40.66 -35.23 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -64.88 -57.01 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.546 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.2 mp -51.76 -58.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.485 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 7.0 ttt85 -48.44 -41.81 30.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.93 -45.16 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.937 ' NE2' HD12 ' A' ' 79' ' ' ILE . 6.9 t60 -50.44 -59.6 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.692 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.7 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.794 0.331 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -49.36 -44.45 44.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD23 ' CZ ' ' A' ' 33' ' ' PHE . 28.3 tp -57.63 -69.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 tp -39.78 -26.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 12' ' ' GLN . 22.6 t -88.79 -38.37 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.75 ' O ' HG13 ' A' ' 21' ' ' VAL . 74.1 t90 -56.58 -40.12 74.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -76.81 -54.52 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -57.55 -22.72 46.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.06 -56.72 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 17' ' ' TRP . 3.3 m -61.81 -23.12 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.67 ' CB ' HG11 ' A' ' 28' ' ' VAL . 48.3 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.67 HG11 ' CB ' ' A' ' 22' ' ' THR . 31.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.913 0.387 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -122.32 101.26 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 30' ' ' ILE . 4.9 mp -87.56 68.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' HG22 ' A' ' 31' ' ' THR . 92.7 m -79.93 -14.39 58.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -151.59 177.02 10.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 19.8 m-85 -116.64 34.4 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.5 p -131.64 -72.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.619 ' CG2' HD12 ' A' ' 95' ' ' ILE . 70.4 p -74.96 -53.39 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -39.73 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.934 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 43.5 m95 -107.36 -26.32 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' THR . 11.9 ttp85 -37.03 -55.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.495 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 4.1 p-10 -56.64 -58.56 7.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.52 1.03 7.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 62' ' ' PRO . 55.2 mt -54.94 -66.69 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.517 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 4.9 m -45.33 -51.75 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -46.23 -47.91 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.32 -58.33 3.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.789 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -40.54 -46.69 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -56.06 -54.3 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.558 HD23 ' CG1' ' A' ' 55' ' ' ILE . 30.6 tp -65.36 -23.83 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 57' ' ' TYR . 63.2 t-80 -80.29 -20.57 44.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 46.1 t60 -64.06 -46.88 82.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -82.99 -43.5 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HB3' HD12 ' A' ' 54' ' ' LEU . 6.5 tpt180 -132.43 92.93 26.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.575 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.78 -6.99 19.94 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -96.8 -16.77 20.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 51' ' ' ARG . 12.2 mt -68.28 -38.21 81.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.711 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -120.64 -177.31 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.711 ' H ' HG22 ' A' ' 55' ' ' ILE . 46.0 m-20 -114.57 27.36 9.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.789 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 22.7 t80 -53.73 -18.72 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -63.51 -25.03 68.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -134.31 31.3 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.6 mt -91.89 -174.77 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.4 m120 -172.07 159.8 4.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.513 ' HB3' HD11 ' A' ' 41' ' ' LEU . 54.4 Cg_endo -69.72 3.4 2.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HG3' ' CB ' ' A' ' 61' ' ' ASN . 1.9 pp0? -80.01 -13.85 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -109.39 114.44 28.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 mt -97.2 -47.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -79.05 -48.62 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.24 -58.47 8.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -42.86 -48.53 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 4.2 m-80 -65.11 -58.2 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -44.89 -45.33 10.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -49.38 -56.47 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.33 -63.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 22.8 m-85 -38.13 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ALA . 26.5 t0 -78.78 -44.36 23.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.514 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -73.75 -43.59 34.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.451 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 21.4 m-85 -65.72 -48.37 72.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.04 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 m -58.07 -45.95 86.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.573 HD12 ' NE2' ' A' ' 111' ' ' HIS . 16.0 pt -72.33 -35.0 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.68 34.62 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.545 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.556 HD13 HG13 ' A' ' 108' ' ' ILE . 29.0 mt -105.2 102.02 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 111.115 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -54.96 126.79 25.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.441 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 11.0 mtm105 -78.29 126.81 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 36.4 mt -108.52 -35.53 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -103.91 154.95 19.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -110.33 148.52 38.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.494 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.78 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.262 . . . . 0.0 112.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.5 t -57.95 -54.64 44.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.609 ' HA ' HD12 ' A' ' 92' ' ' LEU . 10.2 t0 -35.38 -43.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -54.76 -45.63 74.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 88' ' ' SER . 23.6 t -69.91 -47.41 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 89' ' ' ASP . 44.7 mt -46.47 -55.87 6.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.3 pp -90.98 176.78 6.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.64 -66.45 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.619 HD12 ' CG2' ' A' ' 35' ' ' THR . 33.2 mm -117.61 132.25 23.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 95' ' ' ILE . 53.3 Cg_endo -69.78 178.07 4.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.622 2.214 . . . . 0.0 112.332 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.1 m-20 -93.51 101.53 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 97' ' ' ASP . 31.7 tttt -34.3 -51.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.49 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 103' ' ' THR . 21.7 m -41.42 -66.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' THR . 89.2 t -35.63 -55.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.4 mtp -60.22 -37.15 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 100' ' ' THR . 33.3 m -58.62 -47.03 85.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.661 ' O ' HD12 ' A' ' 108' ' ' ILE . 26.0 t80 -65.87 -42.26 90.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.934 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 11.3 mt -57.01 -54.31 48.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -44.03 -38.38 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -60.1 -51.13 70.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 104' ' ' TYR . 5.0 mp -59.31 -56.69 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 25.7 ttt-85 -50.07 -39.15 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.59 -41.7 75.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.573 ' NE2' HD12 ' A' ' 79' ' ' ILE . 12.7 t60 -52.99 -50.84 63.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.725 ' O ' HG23 ' A' ' 16' ' ' VAL . 26.4 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.839 0.352 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.6 p -40.12 -48.59 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.42 -63.49 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 tp -37.21 -35.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 12' ' ' GLN . 70.7 t -73.08 -54.45 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.589 ' CZ3' HG21 ' A' ' 46' ' ' ILE . 23.4 t90 -35.17 -52.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.49 ' SG ' HD11 ' A' ' 46' ' ' ILE . 7.0 t -64.82 -63.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -48.95 -21.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.82 -62.37 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.564 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.1 m -64.42 -19.99 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.59 ' HB ' HG11 ' A' ' 28' ' ' VAL . 80.7 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.59 HG11 ' HB ' ' A' ' 22' ' ' THR . 8.2 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.914 0.387 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' HD12 ' A' ' 30' ' ' ILE . 19.1 mtpp -132.67 -34.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.3 mp 60.64 50.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.527 HG23 ' ND2' ' A' ' 32' ' ' ASN . 5.1 t -69.67 -26.25 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.527 ' ND2' HG23 ' A' ' 31' ' ' THR . 4.4 m-20 -143.07 167.35 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 40.5 m-85 -112.11 36.02 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.9 p -130.66 -70.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.451 ' CG2' HD12 ' A' ' 95' ' ' ILE . 67.8 p -82.68 -43.43 16.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.204 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 t -45.24 -28.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.787 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 43.1 m95 -104.72 -27.05 12.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' TRP . 19.3 ttp85 -34.95 -50.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.465 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -63.5 -53.41 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 112.18 41.52 1.06 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -96.5 -52.08 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.36 . . . . 0.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.544 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 29.6 m -59.74 -33.08 71.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.43 -44.5 90.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.21 -34.83 49.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HB1' HG22 ' A' ' 22' ' ' THR . . . -55.29 -45.15 76.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.589 HG21 ' CZ3' ' A' ' 17' ' ' TRP . 51.1 mt -62.42 -66.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.564 HD23 ' CG1' ' A' ' 55' ' ' ILE . 20.3 tp -47.31 -31.73 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 56.9 t-80 -69.65 -41.09 76.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.564 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 17.1 t60 -47.59 -51.35 21.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -75.8 -46.81 28.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HB3' HD12 ' A' ' 54' ' ' LEU . 13.7 tpt180 -140.33 105.0 6.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.564 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -44.13 2.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.3 -38.72 63.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 51' ' ' ARG . 10.9 mt -48.67 -37.64 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.66 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.69 178.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.66 ' H ' HG22 ' A' ' 55' ' ' ILE . 1.8 m-20 -115.68 25.1 11.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.443 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 9.0 t80 -48.02 -26.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -35.05 70.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.2 p -123.21 33.05 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 10.0 mt -93.96 -175.08 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.2 m120 -173.87 160.07 3.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.483 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.46 -21.04 45.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.483 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 17.6 m-20 -102.0 114.98 29.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.408 ' CG2' HG22 ' A' ' 91' ' ' VAL . 88.1 mt -101.95 -44.03 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 88' ' ' SER . 20.4 ttpt -79.66 -44.57 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 68' ' ' ASN . 26.0 tt0 -64.52 -65.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLU . 15.9 m-20 -34.2 -58.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 4.1 m-80 -56.12 -49.09 74.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -54.22 -49.19 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -44.06 -47.3 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.76 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -61.47 -71.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 15.3 m-85 -32.73 -53.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -49.09 -46.21 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -78.56 -53.52 4.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.76 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 15.5 m-85 -49.12 -51.47 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.838 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.45 71.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t -44.7 -48.14 10.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.691 HD11 ' CD1' ' A' ' 81' ' ' ILE . 17.8 pt -73.06 -38.57 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.3 32.71 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.432 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.691 ' CD1' HD11 ' A' ' 79' ' ' ILE . 68.5 mt -102.03 101.65 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.7 m -51.28 125.18 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' CD ' ' HB3' ' A' ' 73' ' ' TYR . 28.1 mtm180 -84.36 114.78 22.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 104' ' ' TYR . 35.6 mt -91.97 -46.92 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.58 HD22 HG22 ' A' ' 101' ' ' VAL . 12.4 tp -88.31 149.09 23.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -108.03 147.64 35.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.727 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.529 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.6 Cg_endo -69.79 -50.76 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.467 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . 90.8 p -59.37 -50.28 74.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.626 ' HA ' HD12 ' A' ' 92' ' ' LEU . 10.7 t0 -42.62 -47.17 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -49.26 -48.75 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.408 HG22 ' CG2' ' A' ' 65' ' ' ILE . 48.4 t -66.8 -47.44 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 89' ' ' ASP . 39.9 mt -49.4 -60.16 3.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.434 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.4 pp -84.54 159.43 20.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.63 -59.84 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.451 HD12 ' CG2' ' A' ' 35' ' ' THR . 39.9 mm -119.48 123.93 28.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 176.92 6.14 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.2 m-20 -91.38 101.08 13.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' ASP . 4.4 ttpm? -36.72 -48.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.9 mt -54.58 -56.07 22.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.5 m -51.7 -60.9 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.58 HG22 HD22 ' A' ' 85' ' ' LEU . 98.8 t -49.83 -59.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.9 mtp -47.23 -45.16 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.1 m -55.44 -57.44 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.64 ' HA ' HD12 ' A' ' 84' ' ' LEU . 32.5 t80 -51.64 -59.05 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.787 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 13.0 mt -39.86 -58.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 105' ' ' LEU . 16.4 m-85 -37.07 -43.52 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.504 ' O ' ' CD2' ' A' ' 111' ' ' HIS . 18.4 mm100 -52.05 -58.67 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.626 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.8 mp -52.63 -55.03 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 5.6 ttt-85 -54.86 -33.67 62.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.04 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.557 ' CD2' HG12 ' A' ' 81' ' ' ILE . 44.4 m-70 -62.25 -51.26 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.825 ' O ' HG23 ' A' ' 16' ' ' VAL . 23.0 tp60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -47.02 -56.06 7.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.5 -62.04 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 tp -39.49 -41.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 12' ' ' GLN . 59.8 t -67.11 -53.38 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 47.4 t90 -34.65 -52.85 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t -65.15 -63.89 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -43.28 -25.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -73.13 -61.1 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.57 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.8 m -66.48 -18.99 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.494 ' HB ' HG11 ' A' ' 28' ' ' VAL . 72.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.744 HG12 HD11 ' A' ' 30' ' ' ILE . 10.1 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.957 0.408 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.435 ' C ' HD12 ' A' ' 30' ' ' ILE . 33.6 ttpt -117.7 -20.66 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.744 HD11 HG12 ' A' ' 28' ' ' VAL . 4.0 mp 50.31 53.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.58 HG23 ' ND2' ' A' ' 32' ' ' ASN . 5.2 t -63.5 -26.84 68.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.58 ' ND2' HG23 ' A' ' 31' ' ' THR . 10.9 m-80 -148.71 177.52 9.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 55.5 m-85 -114.99 34.52 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 p -127.84 -72.08 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' ARG . 76.3 p -78.83 -53.32 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' THR . 13.6 t -36.42 -34.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.604 ' CH2' HD21 ' A' ' 105' ' ' LEU . 40.1 m95 -99.01 -29.28 12.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 65' ' ' ILE . 23.4 ttt-85 -35.52 -44.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 p30 -70.42 -47.24 61.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.474 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 106.97 42.99 1.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' HB3' ' A' ' 62' ' ' PRO . 67.9 mt -96.87 -56.95 2.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.579 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 20.4 m -59.62 -32.54 70.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 6.2 m-85 -65.3 -44.75 86.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.4 m -77.81 -34.1 52.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.542 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -58.47 -53.25 60.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.449 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 50.4 mt -49.59 -61.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.543 HD23 ' CG1' ' A' ' 55' ' ' ILE . 31.3 tp -53.02 -32.38 46.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 60.1 t-80 -69.66 -39.0 77.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 32.0 t60 -47.08 -41.31 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -82.37 -43.88 16.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.642 ' HB3' HD12 ' A' ' 54' ' ' LEU . 10.1 tpt180 -136.19 104.85 9.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.692 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.539 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.8 -3.28 11.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -101.16 -39.72 7.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 51' ' ' ARG . 11.6 mt -41.86 -40.79 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.543 ' CG1' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -122.51 171.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.534 ' H ' HG22 ' A' ' 55' ' ' ILE . 4.8 t0 -104.29 23.68 12.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 11.3 t80 -49.58 -22.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -58.32 -32.53 68.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -129.27 35.41 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.423 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 10.5 mt -93.97 -176.43 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 5.1 m120 -171.29 160.02 5.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HB3' HD11 ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.72 3.93 2.47 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.59 -19.16 50.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 20.9 m-20 -104.59 114.7 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 38' ' ' ARG . 83.4 mt -98.99 -39.81 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -85.22 -50.45 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' HG2' ' CE ' ' A' ' 71' ' ' LYS . 15.3 tt0 -57.61 -57.87 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -45.84 -54.61 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.4 m-80 -59.02 -47.91 83.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.435 ' N ' ' HB3' ' A' ' 87' ' ' PRO . 35.0 tttm -48.92 -46.09 42.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.483 ' CE ' ' HG2' ' A' ' 67' ' ' GLU . 11.2 mttm -49.76 -62.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -44.47 -73.21 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' ALA . 17.1 m-85 -35.6 -44.56 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -62.86 -44.68 95.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.05 -57.07 4.97 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CE1' HG21 ' A' ' 108' ' ' ILE . 38.7 m-85 -52.55 -42.97 64.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.28 69.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -45.74 -49.25 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.771 HD11 ' CD1' ' A' ' 81' ' ' ILE . 19.2 pt -70.03 -38.56 75.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.29 33.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.771 ' CD1' HD11 ' A' ' 79' ' ' ILE . 74.0 mt -103.27 99.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -47.89 132.96 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -84.56 110.08 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.478 HD13 ' HD1' ' A' ' 104' ' ' TYR . 7.5 mp -87.88 -44.24 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.4 tp -96.81 154.35 17.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -112.02 150.9 43.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HB3' ' N ' ' A' ' 70' ' ' LYS . 53.5 Cg_endo -69.73 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.3 p -64.35 -33.74 76.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.835 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -53.41 -38.67 63.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.53 -36.98 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.0 t -72.22 -51.22 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.835 HD12 ' HA ' ' A' ' 89' ' ' ASP . 17.4 mt -41.83 -55.51 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.475 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.3 pp -95.72 173.8 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.472 ' O ' ' CD ' ' A' ' 38' ' ' ARG . . . -90.75 -53.02 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.475 ' C ' HD13 ' A' ' 93' ' ' LEU . 15.9 mm -120.54 124.45 27.62 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.24 2.76 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -97.86 96.78 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' ASP . 5.1 ttpm? -34.38 -56.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -40.26 -60.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.9 m -56.94 -60.79 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.6 t -42.61 -61.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.8 mtp -50.78 -43.4 58.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 61.7 m -55.06 -47.02 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.478 ' HD1' HD13 ' A' ' 84' ' ' LEU . 17.2 t80 -60.65 -51.88 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.604 HD21 ' CH2' ' A' ' 37' ' ' TRP . 9.1 mt -45.23 -60.51 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.419 ' O ' ' CB ' ' A' ' 110' ' ' ALA . 24.8 m-85 -37.05 -41.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -55.98 -53.51 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -63.15 -58.04 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -55.23 -33.6 63.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 106' ' ' TYR . . . -72.76 -41.1 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.69 ' CE1' HD12 ' A' ' 79' ' ' ILE . 8.6 t60 -57.26 -53.17 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.894 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.782 ' O ' HG23 ' A' ' 16' ' ' VAL . 16.3 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.789 0.328 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 t -47.27 -50.17 22.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.52 -59.32 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -50.93 -27.31 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 12' ' ' GLN . 90.4 t -87.02 -38.43 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.522 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 90.0 t90 -60.27 -45.44 93.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' HG21 ' A' ' 30' ' ' ILE . 2.7 p -69.48 -42.96 74.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -67.99 -21.24 65.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -73.04 -55.65 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.566 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 m -67.78 -24.02 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.825 ' HB ' HG11 ' A' ' 28' ' ' VAL . 80.9 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.825 HG11 ' HB ' ' A' ' 22' ' ' THR . 58.7 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.889 0.376 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -120.75 87.53 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 30' ' ' ILE . 5.3 mp -71.84 82.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.421 HG23 ' CG ' ' A' ' 32' ' ' ASN . 11.3 t -90.74 -27.45 18.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' CG ' HG23 ' A' ' 31' ' ' THR . 12.2 m-20 -141.11 177.81 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 32.4 m-85 -117.97 32.55 6.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.7 -72.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' ARG . 73.9 p -77.53 -50.21 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 m -38.23 -34.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.673 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 25.4 m95 -100.96 -26.61 13.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' TRP . 32.5 ttt-85 -35.63 -48.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.479 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 p30 -65.95 -53.78 34.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.49 36.8 1.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 mt -87.7 -60.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.48 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 67.7 m -52.81 -37.89 60.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -57.75 -45.38 85.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.7 m -75.96 -41.88 50.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.702 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -57.19 -59.62 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.421 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 86.2 mt -42.49 -54.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.6 HD23 ' CG1' ' A' ' 55' ' ' ILE . 32.9 tp -59.01 -37.11 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 23.5 t-80 -66.34 -30.84 71.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.566 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 61.9 t60 -56.02 -45.38 79.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -72.97 -51.2 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 2.3 mmp_? -139.0 105.1 7.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.511 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 1.93 4.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -107.99 36.74 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.9 mt -126.92 -41.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.6 ' CG1' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -117.95 171.05 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.501 ' H ' HG22 ' A' ' 55' ' ' ILE . 73.2 m-20 -106.61 25.33 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.702 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 10.7 t80 -50.61 -23.92 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -57.23 -28.8 63.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -131.25 35.79 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 60' ' ' LEU . 12.1 mt -98.19 -178.33 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 4.8 m120 -167.72 160.27 9.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 4.19 2.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.55 -20.47 46.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.476 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 20.6 m-20 -102.27 115.04 29.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -101.0 -46.85 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -75.39 -45.08 41.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 68' ' ' ASN . 21.7 tt0 -64.87 -65.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' GLU . 31.1 m-20 -35.46 -58.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 5.1 m-80 -57.1 -51.59 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -49.77 -45.6 49.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -48.44 -60.96 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.719 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -48.64 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.447 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 16.7 m-85 -34.29 -46.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -57.73 -46.41 84.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.0 -56.35 4.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.719 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 17.9 m-85 -48.98 -43.58 40.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HB2' ' HD2' ' A' ' 83' ' ' ARG . . . -70.35 -30.66 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -45.48 -49.09 13.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.442 HD11 ' CD1' ' A' ' 81' ' ' ILE . 24.3 pt -71.23 -41.04 74.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.441 ' N ' HG13 ' A' ' 79' ' ' ILE . . . 144.8 35.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 79' ' ' ILE . 30.2 mt -103.55 100.63 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 111.123 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.0 p -46.53 151.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 2.5 mpp_? -97.21 103.17 15.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.504 HD13 ' HD1' ' A' ' 104' ' ' TYR . 6.8 mp -85.32 -44.89 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 tp -102.1 151.2 22.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -109.28 150.43 41.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.673 0.749 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.76 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.0 p -56.11 -47.44 78.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.507 ' HA ' HD12 ' A' ' 92' ' ' LEU . 79.4 m-20 -42.33 -53.22 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.6 mmt -48.89 -41.67 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -70.68 -47.55 63.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 89' ' ' ASP . 56.8 mt -49.56 -59.34 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.3 pp -88.69 168.16 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.28 -62.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.455 ' O ' HD13 ' A' ' 93' ' ' LEU . 15.1 mm -116.34 127.71 26.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 176.7 6.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 98' ' ' LYS . 8.8 m-20 -89.68 101.59 14.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASP . 37.8 tttt -38.16 -53.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.0 -45.73 68.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.7 m -59.07 -59.87 4.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.7 t -50.07 -63.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.3 mtp -41.12 -47.33 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 96.5 m -54.96 -47.62 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.504 ' HD1' HD13 ' A' ' 84' ' ' LEU . 21.6 t80 -63.24 -49.48 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.673 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 10.2 mt -52.11 -60.66 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 105' ' ' LEU . 10.7 m-85 -34.73 -45.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -52.35 -55.33 22.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.756 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.8 mp -59.49 -56.46 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.522 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -54.19 -34.36 60.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.91 -40.69 53.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -58.8 -55.12 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 16' ' ' VAL . 9.3 tm0? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.86 0.362 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -53.18 -48.49 68.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 105' ' ' LEU . 23.6 tp -62.18 -59.47 5.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 33' ' ' PHE . 8.0 tp -49.41 -41.12 38.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 12' ' ' GLN . 48.0 t -70.32 -46.85 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 53.9 t90 -40.01 -52.07 2.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 20' ' ' GLU . 41.8 t -64.25 -64.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -43.11 -24.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 18' ' ' CYS . 3.5 tt0 -73.14 -50.31 23.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.527 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.6 m -79.46 -12.25 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.832 ' HB ' HG11 ' A' ' 28' ' ' VAL . 68.9 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.832 HG11 ' HB ' ' A' ' 22' ' ' THR . 95.6 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.909 0.385 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -109.35 101.53 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -85.21 69.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.434 HG23 ' ND2' ' A' ' 32' ' ' ASN . 8.5 t -78.73 -26.0 44.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.434 ' ND2' HG23 ' A' ' 31' ' ' THR . 2.8 m-20 -144.28 -179.37 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.487 ' HE1' HD13 ' A' ' 105' ' ' LEU . 34.7 m-85 -114.36 29.69 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 p -131.71 -72.1 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.426 HG22 HH21 ' A' ' 38' ' ' ARG . 63.7 p -71.54 -41.61 68.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.37 -24.44 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.627 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 25.2 m95 -111.97 -23.62 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.426 HH21 HG22 ' A' ' 35' ' ' THR . 13.6 ttm180 -35.74 -47.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.489 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -68.09 -56.97 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.25 32.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.67 -67.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 46.1 m -47.89 -39.91 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CE1' ' CE2' ' A' ' 104' ' ' TYR . 10.7 m-85 -55.35 -44.9 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 m -76.99 -47.14 21.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.739 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -54.77 -55.41 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.3 mt -44.87 -56.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.506 HD23 ' CG1' ' A' ' 55' ' ' ILE . 36.5 tp -56.59 -31.67 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 52' ' ' PRO . 15.5 t-80 -69.36 -41.02 77.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.527 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 25.5 t60 -47.77 -41.36 23.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 34.4 m-85 -76.49 -51.84 10.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.718 ' HB2' HD12 ' A' ' 54' ' ' LEU . 4.3 mmt180 -133.14 103.35 12.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.531 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.76 3.07 2.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.82 32.44 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' A' ' 51' ' ' ARG . 15.6 mt -116.37 -39.7 3.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -118.32 175.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.628 ' H ' HG22 ' A' ' 55' ' ' ILE . 34.9 t70 -107.55 23.78 13.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.739 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 13.0 t80 -49.55 -28.31 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -54.08 -29.64 45.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.4 t -128.92 36.33 4.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 12.8 mt -100.48 177.17 5.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 4.2 m120 -161.93 160.69 22.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 4.9 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.48 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.7 pp0? -80.38 -20.3 44.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.48 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 17.3 m-20 -100.57 115.36 29.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.7 mt -98.74 -52.55 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.643 ' HB2' HG21 ' A' ' 91' ' ' VAL . 15.8 ttmt -74.21 -46.49 41.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.61 -65.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -39.22 -45.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.0 m-80 -66.02 -51.21 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -50.91 -52.89 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -41.96 -58.67 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.771 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -50.31 -68.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.458 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 17.9 m-85 -33.39 -54.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -48.53 -44.33 36.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.11 -53.17 4.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.771 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 22.3 m-85 -49.82 -51.49 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.638 ' HB2' ' HD2' ' A' ' 83' ' ' ARG . . . -65.99 -35.13 79.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -44.67 -50.62 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.679 HD12 ' CD2' ' A' ' 111' ' ' HIS . 16.0 pt -68.95 -39.8 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.403 ' N ' HG13 ' A' ' 79' ' ' ILE . . . 146.01 32.96 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.639 ' CD1' HD11 ' A' ' 79' ' ' ILE . 63.6 mt -106.84 98.0 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.3 m -42.58 157.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.638 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -96.9 92.3 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 84' ' ' LEU . 7.6 mp -80.27 -43.97 20.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.3 tp -98.38 152.48 19.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.424 ' HB2' ' CG ' ' A' ' 89' ' ' ASP . 60.2 mm-40 -110.89 146.18 33.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.458 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.6 Cg_endo -69.79 -50.51 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 91' ' ' VAL . 85.2 p -58.01 -52.21 66.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.624 ' HA ' HD12 ' A' ' 92' ' ' LEU . 2.2 m-20 -37.03 -45.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -56.81 -42.24 79.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 66' ' ' LYS . 64.3 t -74.37 -51.74 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 89' ' ' ASP . 52.3 mt -40.11 -64.83 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.532 ' C ' HD12 ' A' ' 93' ' ' LEU . 1.8 pp -93.31 176.8 6.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.33 -61.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.417 ' O ' HD13 ' A' ' 93' ' ' LEU . 18.5 mm -99.44 126.35 37.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.733 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -176.44 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.31 94.76 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -42.09 -59.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.6 mt -47.2 -51.48 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.9 m -58.92 -55.74 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.0 t -49.68 -61.15 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.3 mtp -45.08 -48.07 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.2 m -59.05 -40.3 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.588 ' O ' HD12 ' A' ' 108' ' ' ILE . 24.0 t80 -65.93 -49.88 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.627 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 22.4 mt -50.04 -58.67 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -38.04 -42.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -57.4 -52.52 65.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.592 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -61.77 -57.67 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.03 -40.27 63.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.84 79.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.679 ' CD2' HD12 ' A' ' 79' ' ' ILE . 52.9 t60 -52.0 -55.51 20.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.626 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 81.4 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 16' ' ' VAL . 22.2 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.764 0.316 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -46.34 -58.63 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.5 tp -54.57 -57.33 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 tp -45.98 -35.37 4.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 12' ' ' GLN . 55.5 t -77.78 -45.91 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.579 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 81.3 t90 -37.72 -51.52 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 t -67.89 -45.24 75.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.61 -21.17 37.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -83.12 -63.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' ' 46' ' ' ILE . 3.1 m -54.6 -29.61 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.777 ' CB ' HG11 ' A' ' 28' ' ' VAL . 59.0 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.777 HG11 ' CB ' ' A' ' 22' ' ' THR . 89.4 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -134.82 94.52 3.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 30' ' ' ILE . 4.3 mp -82.8 75.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -83.35 -22.03 32.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -148.99 -179.96 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 49.1 m-85 -121.1 31.17 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -127.35 -68.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.441 ' CG2' ' CD1' ' A' ' 95' ' ' ILE . 69.8 p -87.07 -30.65 20.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -55.16 -31.48 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.803 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 16.3 m95 -105.13 -17.08 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -41.93 -51.56 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 1.3 p30 -62.4 -56.16 20.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.75 29.38 2.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.25 -63.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.4 m -48.09 -41.75 27.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 22.4 m-85 -54.9 -46.79 74.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.2 m -75.08 -35.98 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.71 76.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.557 HG23 HG21 ' A' ' 21' ' ' VAL . 35.9 mt -55.24 -61.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.49 HD23 ' CG1' ' A' ' 55' ' ' ILE . 32.6 tp -51.45 -39.95 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.477 ' CE1' ' CB ' ' A' ' 52' ' ' PRO . 29.9 t-80 -62.94 -34.13 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.493 ' CD2' ' HA ' ' A' ' 21' ' ' VAL . 25.3 t60 -54.04 -52.8 59.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.539 ' HE2' HG22 ' A' ' 46' ' ' ILE . 44.2 m-85 -64.58 -46.7 81.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HB3' HD12 ' A' ' 54' ' ' LEU . 10.3 tpp180 -143.66 105.0 4.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.477 ' CB ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.73 -0.19 6.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -108.3 28.77 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 51' ' ' ARG . 15.0 mt -114.89 -38.66 3.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.626 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -120.37 175.42 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.626 ' H ' HG22 ' A' ' 55' ' ' ILE . 66.7 m-20 -107.34 24.15 13.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.439 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 11.2 t80 -50.15 -23.14 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -57.67 -31.25 66.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -129.29 34.39 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 11.3 mt -94.74 176.08 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.411 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 3.7 m120 -161.46 161.36 22.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.721 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 3.95 2.49 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.522 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.64 -22.83 43.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.522 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 16.3 m-20 -99.22 115.45 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.4 mt -103.02 -49.49 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HB2' HG21 ' A' ' 91' ' ' VAL . 3.9 ttmp? -72.35 -42.44 65.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.3 tp10 -66.3 -64.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' GLU . 17.0 m-20 -34.55 -44.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.433 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 4.7 m-80 -70.76 -44.26 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' GLU . 17.1 tptm -53.62 -54.95 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 68' ' ' ASN . 13.0 mtmm -44.96 -59.56 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.771 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -46.24 -72.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 72' ' ' ALA . 16.0 m-85 -34.02 -52.97 0.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.56 -44.56 46.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.78 -53.95 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.771 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 19.1 m-85 -49.64 -52.0 33.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.98 -22.31 65.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -53.96 -44.48 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 81' ' ' ILE . 16.9 pt -76.06 -37.95 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 144.85 33.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.592 ' CD1' HD11 ' A' ' 79' ' ' ILE . 69.7 mt -105.51 97.57 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 111.119 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t -44.84 145.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -95.16 105.35 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 104' ' ' TYR . 72.9 mt -86.01 -52.7 5.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.608 HD22 HG22 ' A' ' 101' ' ' VAL . 17.1 tp -87.32 154.72 20.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -110.23 148.26 37.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.668 0.747 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.406 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.8 -46.46 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 p -63.01 -45.83 90.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -43.08 -51.28 5.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.7 mmt -50.07 -32.93 16.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 66' ' ' LYS . 40.4 t -85.25 -40.73 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.9 mt -52.52 -49.77 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.4 pp -100.51 179.99 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.72 -61.53 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.441 ' CD1' ' CG2' ' A' ' 35' ' ' THR . 25.2 mm -115.94 128.06 26.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -178.62 2.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.4 m-20 -99.81 100.02 10.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' ASP . 14.6 ttmt -33.99 -57.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.6 mt -50.11 -45.08 52.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' ASP . 86.9 m -61.67 -51.61 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.608 HG22 HD22 ' A' ' 85' ' ' LEU . 98.1 t -63.2 -63.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 55.6 mtp -39.87 -49.62 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.8 m -52.77 -49.64 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.635 ' HA ' HD12 ' A' ' 84' ' ' LEU . 26.3 t80 -57.7 -46.07 84.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.803 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 11.5 mt -53.41 -59.8 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' LEU . 21.0 m-85 -36.18 -39.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -60.22 -44.69 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.551 HG13 HD13 ' A' ' 81' ' ' ILE . 4.1 mp -72.4 -56.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 tmt_? -54.8 -32.8 60.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.54 -43.74 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.534 ' CE1' HD12 ' A' ' 79' ' ' ILE . 20.2 t60 -51.94 -56.63 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 16' ' ' VAL . 49.9 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -48.91 -49.35 40.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.97 -59.92 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -47.16 -47.08 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 12' ' ' GLN . 75.2 t -62.47 -44.08 98.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 88.8 t90 -52.81 -46.14 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 m -64.78 -52.81 54.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -59.33 -32.5 70.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -62.97 -69.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.515 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.5 m -51.08 -23.98 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.825 ' HB ' HG11 ' A' ' 28' ' ' VAL . 57.9 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.825 HG11 ' HB ' ' A' ' 22' ' ' THR . 89.4 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.853 0.359 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 31' ' ' THR . 1.7 ttmp? -114.05 88.3 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 30' ' ' ILE . 5.2 mp -69.6 79.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 ' HG2' ' A' ' 29' ' ' LYS . 17.8 p -82.65 -33.12 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -135.16 -175.85 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.493 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 57.0 m-85 -122.99 26.93 7.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.469 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 0.8 OUTLIER -126.9 -56.14 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 38' ' ' ARG . 63.4 p -90.46 -53.09 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' THR . 2.2 m -37.42 -32.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 20.1 m95 -102.52 -25.93 13.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 35' ' ' THR . 15.3 ttp85 -34.18 -49.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 10.2 p-10 -67.21 -54.27 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.5 35.14 1.33 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' HG ' ' ND2' ' A' ' 39' ' ' ASN . 35.7 mt -85.56 -57.07 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 70.5 m -57.06 -41.05 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.19 -47.46 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.8 m -74.33 -39.21 62.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -58.05 -53.28 60.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.432 HG12 HG21 ' A' ' 21' ' ' VAL . 65.0 mt -50.59 -61.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 30.7 tp -52.54 -33.2 44.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.458 ' HB2' HD13 ' A' ' 55' ' ' ILE . 18.3 t-80 -73.95 -35.88 64.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.515 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 28.6 t60 -51.6 -54.3 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 66.3 m-85 -66.1 -45.12 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HB3' HD12 ' A' ' 54' ' ' LEU . 24.9 tpt180 -142.1 105.05 5.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.644 0.735 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.4 Cg_endo -69.83 -6.26 18.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.301 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -101.85 33.39 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.487 HD12 ' HB3' ' A' ' 51' ' ' ARG . 15.0 mt -120.45 -37.16 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.5 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -124.94 170.1 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' H ' HG22 ' A' ' 55' ' ' ILE . 1.1 m-20 -101.81 27.45 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.43 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 12.1 t80 -51.58 -27.51 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -56.63 -25.05 52.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -132.74 34.09 3.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 11.9 mt -97.81 179.54 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 4.5 m120 -164.98 160.5 14.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 4.51 2.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.502 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -80.05 -22.1 42.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.502 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 21.7 m-20 -100.55 115.13 29.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.415 HG23 ' HA ' ' A' ' 39' ' ' ASN . 53.0 mt -99.64 -46.85 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 24.0 ttpp -75.91 -46.91 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 68' ' ' ASN . 44.2 tt0 -62.1 -66.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 67' ' ' GLU . 24.8 m-20 -33.93 -59.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 15.3 m-80 -58.7 -56.57 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' N ' ' HB3' ' A' ' 87' ' ' PRO . 17.1 ttpp -43.57 -47.99 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -52.82 29.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.03 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 16.2 m-85 -34.95 -39.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -67.18 -47.04 72.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -69.76 -59.58 5.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 31.8 m-85 -50.06 -46.55 53.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.04 -24.97 64.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -55.15 -47.85 74.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 81' ' ' ILE . 19.8 pt -70.0 -36.89 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.13 32.73 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.529 HD13 HG13 ' A' ' 108' ' ' ILE . 64.0 mt -100.89 95.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.9 m -44.45 109.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HA ' ' CE1' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -70.63 140.07 51.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 104' ' ' TYR . 12.5 mt -122.46 -52.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -79.12 145.04 33.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -109.37 150.62 41.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HB3' ' N ' ' A' ' 70' ' ' LYS . 53.5 Cg_endo -69.75 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.481 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 87.2 p -55.75 -60.8 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.706 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -37.4 -47.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.501 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 18.7 mmm -50.51 -43.21 55.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' SER . 90.5 t -72.08 -49.01 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 89' ' ' ASP . 55.5 mt -44.26 -61.51 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.0 pp -87.17 163.8 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.63 -56.64 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 93' ' ' LEU . 42.8 mm -118.9 126.74 26.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.648 0.737 . . . . 0.0 111.159 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.469 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.2 Cg_endo -69.71 -172.44 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' THR . 0.7 OUTLIER -100.27 100.15 10.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASP . 3.6 ttpm? -38.08 -48.6 1.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.13 -42.3 72.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 97' ' ' ASP . 13.5 m -64.58 -65.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.2 t -44.37 -60.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 20.4 mtp -43.84 -47.33 8.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.2 m -53.6 -54.17 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.559 ' HA ' HD12 ' A' ' 84' ' ' LEU . 13.4 t80 -53.5 -58.68 6.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.543 HD21 ' CH2' ' A' ' 37' ' ' TRP . 15.7 mt -38.5 -62.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 105' ' ' LEU . 20.6 m-85 -34.73 -39.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -60.42 -46.53 89.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.529 HG13 HD13 ' A' ' 81' ' ' ILE . 5.1 mp -69.51 -58.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.49 -36.41 61.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 106' ' ' TYR . . . -68.78 -46.84 67.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -51.75 -60.96 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.417 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 63.3 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.441 ' O ' HG23 ' A' ' 16' ' ' VAL . 28.4 tp60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.79 0.328 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 m -43.0 -57.5 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 15' ' ' LEU . 12.8 tp -56.88 -64.05 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.74 ' CD1' HG22 ' A' ' 30' ' ' ILE . 5.0 tp -32.17 -65.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.592 ' HA ' ' HZ2' ' A' ' 19' ' ' LYS . 22.3 t -44.1 -59.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.623 ' HZ3' HD13 ' A' ' 46' ' ' ILE . 92.2 t90 -32.24 -41.19 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.9 m -77.45 -47.81 18.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.592 ' HZ2' ' HA ' ' A' ' 16' ' ' VAL . 5.6 mtmp? -56.63 -42.06 78.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.97 -70.23 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.553 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.5 m -49.8 -25.47 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.746 ' HB ' HG11 ' A' ' 28' ' ' VAL . 75.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.746 HG11 ' HB ' ' A' ' 22' ' ' THR . 94.0 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.948 0.404 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -116.13 97.15 5.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.74 HG22 ' CD1' ' A' ' 15' ' ' LEU . 4.2 mp -74.81 81.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 m -94.2 -27.38 16.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -148.34 152.91 37.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.576 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 40.2 m-85 -92.1 13.56 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.7 p -111.45 -64.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 37' ' ' TRP . 59.3 p -80.85 -52.8 7.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 32' ' ' ASN . 1.2 t -38.33 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.764 ' CH2' HD21 ' A' ' 105' ' ' LEU . 16.6 m95 -111.22 -19.82 12.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' THR . 9.0 ttp85 -35.74 -49.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.66 ' HA ' HG23 ' A' ' 65' ' ' ILE . 1.1 p30 -74.3 -42.97 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.22 33.41 2.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 mt -83.42 -68.56 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.592 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.8 m -47.14 -21.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 5.4 m-85 -77.87 -41.32 37.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.52 -31.06 37.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -66.35 -44.18 83.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.623 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 63.9 mt -58.96 -60.07 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.666 ' HG ' HD11 ' A' ' 55' ' ' ILE . 45.5 tp -56.01 -30.75 62.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.9 t-80 -69.71 -42.17 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.553 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 46.5 t60 -47.19 -38.99 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -83.05 -50.16 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.4 tpt180 -134.81 102.84 11.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.74 2.37 3.58 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -104.84 -34.63 8.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 47' ' ' LEU . 12.0 mt -49.42 -34.56 16.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.666 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -128.39 177.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.642 ' H ' HG22 ' A' ' 55' ' ' ILE . 20.0 m-20 -110.63 27.7 9.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 16.0 t80 -51.84 -22.84 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -61.23 -28.82 69.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.8 t -128.55 31.03 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.9 mt -92.45 -174.88 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.4 m120 -173.62 159.88 3.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 3.32 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.79 -13.15 59.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 15.5 m-20 -110.49 114.38 27.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.66 HG23 ' HA ' ' A' ' 39' ' ' ASN . 17.8 mt -98.44 -47.14 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HB2' HG21 ' A' ' 91' ' ' VAL . 40.2 ttmt -74.4 -52.34 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 70' ' ' LYS . 4.2 tp10 -56.25 -67.4 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLU . 16.4 m-20 -34.1 -46.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.3 m-80 -68.02 -44.79 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' GLU . 22.4 ttpp -61.26 -35.65 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' A' ' 55' ' ' ILE . 14.4 mttm -58.86 -52.16 66.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.689 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -55.48 -74.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.059 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' ALA . 5.0 m-85 -34.43 -51.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -48.95 -46.41 43.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.51 -53.15 4.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.689 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 20.9 m-85 -49.89 -56.84 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.52 -11.9 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 1.8 t -68.77 -38.06 79.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.75 HD12 ' CD2' ' A' ' 111' ' ' HIS . 7.6 pt -82.54 -23.96 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.82 30.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.631 ' CD1' HD11 ' A' ' 79' ' ' ILE . 82.7 mt -105.21 97.4 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -50.85 120.6 4.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.4 ptt85 -78.78 125.62 29.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -105.48 -54.0 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.546 HD22 HG22 ' A' ' 101' ' ' VAL . 20.7 tp -73.86 156.14 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -114.6 143.02 29.15 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.681 0.753 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -44.39 2.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.3 m -65.32 -42.13 93.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.76 -44.43 38.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -52.33 -41.72 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 66' ' ' LYS . 21.3 t -71.8 -50.14 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.3 mt -42.37 -67.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.604 ' C ' HD12 ' A' ' 93' ' ' LEU . 2.7 pp -84.34 -175.96 6.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.84 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.7 mm -111.0 129.98 23.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 179.14 3.9 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.53 103.46 15.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -42.25 -44.92 3.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.5 mt -53.68 -52.94 58.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.3 m -58.69 -67.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.546 HG22 HD22 ' A' ' 85' ' ' LEU . 96.4 t -39.3 -61.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.9 mtp -45.34 -44.5 11.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.9 m -57.35 -42.66 82.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -68.18 -49.93 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.764 HD21 ' CH2' ' A' ' 37' ' ' TRP . 8.3 mt -49.1 -55.94 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -40.63 -43.13 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -54.92 -56.76 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.63 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.7 mp -52.51 -57.91 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.533 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 9.5 ttt85 -49.92 -39.75 41.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.52 -45.18 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.75 ' CD2' HD12 ' A' ' 79' ' ' ILE . 5.1 t60 -47.12 -48.59 23.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.89 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.2 tm0? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.838 0.352 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 p -49.7 -39.16 35.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.545 HD22 ' CE1' ' A' ' 106' ' ' TYR . 67.2 tp -76.62 -62.22 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 6.2 tp -43.37 -33.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.1 t -80.99 -44.71 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.479 ' O ' HG13 ' A' ' 21' ' ' VAL . 80.4 t90 -42.0 -49.78 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.4 t -69.15 -55.97 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' CG ' HD13 ' A' ' 30' ' ' ILE . 6.3 mtpm? -50.83 -20.0 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -81.01 -55.87 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.571 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.7 m -68.97 -13.59 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.921 ' HB ' HG11 ' A' ' 28' ' ' VAL . 81.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.921 HG11 ' HB ' ' A' ' 22' ' ' THR . 98.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.858 0.361 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' THR . 69.8 tttt -118.5 83.82 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.633 ' H ' HD12 ' A' ' 30' ' ' ILE . 5.3 mp -60.49 75.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -85.5 -26.78 26.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.43 177.1 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.579 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 14.0 m-85 -112.26 8.84 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 73.0 p -111.99 -61.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 38' ' ' ARG . 40.6 p -78.15 -56.7 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' THR . 13.8 t -37.96 -31.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.631 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 18.1 m95 -107.41 -19.61 13.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 35' ' ' THR . 9.2 ttp85 -39.58 -47.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -73.95 -54.46 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.75 24.57 2.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.6 mt -75.91 -64.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.505 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 49.2 m -49.37 -39.34 31.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 12.1 m-85 -58.42 -55.85 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -64.97 -35.87 82.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -58.15 -46.87 84.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.71 -65.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.737 ' HG ' HD11 ' A' ' 55' ' ' ILE . 59.1 tp -50.91 -26.52 5.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 24.5 t-80 -79.79 -26.8 40.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.571 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 60.7 t60 -56.66 -42.9 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -86.49 -51.61 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.911 ' CB ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -120.16 90.95 45.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.712 . . . . 0.0 110.833 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.581 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.76 4.07 2.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 33.9 t0 -110.17 -22.5 11.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.911 HD12 ' CB ' ' A' ' 51' ' ' ARG . 7.5 mt -60.23 -42.89 96.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.737 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -116.43 -179.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.662 ' H ' HG22 ' A' ' 55' ' ' ILE . 18.6 m-20 -112.99 30.94 6.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 21.3 t80 -55.69 -19.81 12.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -69.09 -21.6 64.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -131.5 21.6 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD21 ' HZ3' ' A' ' 71' ' ' LYS . 9.6 mt -83.57 -174.9 5.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -171.59 159.92 4.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.42 2.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.389 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.409 ' C ' ' CD ' ' A' ' 63' ' ' GLN . 1.7 pp0? -80.78 -9.27 59.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 11.9 m-20 -114.88 113.76 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.428 HG23 ' HA ' ' A' ' 39' ' ' ASN . 59.4 mt -100.42 -42.68 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.623 ' HB2' HG21 ' A' ' 91' ' ' VAL . 25.9 ttmt -81.02 -42.25 21.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 68' ' ' ASN . 13.1 tt0 -66.82 -64.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 67' ' ' GLU . 32.8 m-20 -35.13 -52.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 18.1 m-80 -63.17 -56.21 18.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -46.18 -42.75 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HZ3' HD21 ' A' ' 60' ' ' LEU . 36.7 mttt -54.11 -42.7 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -65.87 -59.31 3.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.593 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 8.4 m-85 -46.55 -23.9 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.87 -39.45 51.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -82.33 -45.45 6.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 37.9 m-85 -65.48 -44.47 87.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -71.12 -17.59 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.2 t -68.37 -46.95 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.556 HD12 ' NE2' ' A' ' 111' ' ' HIS . 8.5 pt -68.95 -35.09 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.35 37.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.533 ' CD1' HD11 ' A' ' 79' ' ' ILE . 62.0 mt -106.73 93.5 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.2 m -38.81 139.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -85.12 126.11 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 44.9 mt -113.08 -51.32 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.479 HD21 ' CE ' ' A' ' 90' ' ' MET . 21.1 tp -89.87 154.15 20.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -111.25 146.5 34.7 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.693 0.758 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.643 2.229 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 m -61.0 -45.9 92.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -43.0 -52.17 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.479 ' CE ' HD21 ' A' ' 85' ' ' LEU . 2.7 mmt -49.49 -39.1 32.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.623 HG21 ' HB2' ' A' ' 66' ' ' LYS . 59.1 t -70.5 -46.89 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.6 mt -53.28 -58.3 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.1 pp -87.38 155.42 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.36 -69.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.8 mm -105.74 123.58 38.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.679 0.752 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.8 Cg_endo -69.74 156.4 63.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.88 108.59 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -45.44 -51.86 10.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.0 mt -47.41 -57.15 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.5 m -51.49 -71.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.5 t -38.03 -57.61 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.4 mtp -49.26 -43.57 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.2 m -57.56 -39.63 77.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.442 ' CZ ' HD11 ' A' ' 108' ' ' ILE . 31.8 t80 -73.17 -43.68 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.631 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.2 mt -54.65 -51.13 66.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.545 ' CE1' HD22 ' A' ' 14' ' ' LEU . 29.9 m-85 -47.31 -30.21 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -69.04 -59.37 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.626 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.7 mp -52.11 -47.1 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -62.63 -34.75 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.89 -51.5 25.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.556 ' NE2' HD12 ' A' ' 79' ' ' ILE . 32.2 t60 -46.09 -47.35 17.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.424 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.1 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -40.56 -60.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.34 -47.87 77.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.7 tp -51.24 -38.66 53.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' GLN . 40.2 t -75.28 -50.28 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.517 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 87.2 t90 -39.09 -47.46 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.435 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.4 m -64.72 -71.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -38.81 -31.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -64.94 -54.79 25.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.562 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.2 m -66.59 -22.67 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.7 ' HB ' HG11 ' A' ' 28' ' ' VAL . 61.0 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.7 HG11 ' HB ' ' A' ' 22' ' ' THR . 15.9 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.893 0.377 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -135.01 72.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.711 ' H ' HD12 ' A' ' 30' ' ' ILE . 4.8 mp -60.16 76.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' LYS . 7.0 t -87.44 -19.97 27.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -141.41 -177.94 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.471 ' HE1' HD13 ' A' ' 105' ' ' LEU . 15.9 m-85 -125.4 19.86 8.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.4 -62.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.0 p -88.03 -12.97 42.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 t -74.21 -23.47 59.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.524 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 6.9 m95 -116.9 -8.47 11.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.677 ' O ' HG23 ' A' ' 65' ' ' ILE . 22.9 ttt-85 -44.23 -39.08 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -78.98 -45.92 19.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.76 24.24 5.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.81 -71.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.332 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.503 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.0 m -42.78 -46.36 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -52.49 -46.42 66.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.7 m -74.77 -29.78 61.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -68.37 -43.73 76.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mt -58.28 -56.47 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.586 HD11 HD13 ' A' ' 54' ' ' LEU . 55.6 tp -58.98 -27.27 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.409 ' HB2' HD13 ' A' ' 55' ' ' ILE . 56.4 t-80 -78.57 -18.14 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 76.0 t60 -68.76 -50.4 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.478 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 28.5 m-85 -69.17 -52.05 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 2.3 mmm-85 -132.94 103.8 12.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.7 Cg_endo -69.72 3.04 2.98 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -112.9 27.71 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 47' ' ' LEU . 15.9 mt -110.84 -41.15 4.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.688 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -120.51 -177.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.688 ' H ' HG22 ' A' ' 55' ' ' ILE . 55.0 m-20 -115.49 26.56 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 22.9 t80 -50.34 -19.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -63.73 -33.71 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.8 p -121.98 28.25 7.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.4 mt -91.02 -174.72 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.1 m120 -173.5 159.99 3.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.744 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.48 2.74 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.225 . . . . 0.0 112.341 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.444 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.77 -14.28 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.444 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 16.4 m-20 -110.49 114.0 27.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.677 HG23 ' O ' ' A' ' 38' ' ' ARG . 82.3 mt -99.46 -39.51 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -78.86 -49.29 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 68' ' ' ASN . 10.0 tt0 -60.77 -69.54 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.478 ' C ' ' O ' ' A' ' 67' ' ' GLU . 20.9 m-20 -32.15 -54.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.408 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 3.9 m-80 -60.96 -51.82 67.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -51.25 -52.07 48.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HE2' HD21 ' A' ' 60' ' ' LEU . 19.7 mtpp -44.18 -51.56 8.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -57.04 -70.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 72' ' ' ALA . 11.2 m-85 -34.49 -40.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.34 -47.38 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -66.48 -55.05 19.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.486 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 48.8 m-85 -56.78 -50.56 71.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.5 -5.63 8.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -73.45 -20.15 60.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.423 HD12 ' NE2' ' A' ' 111' ' ' HIS . 4.5 pt -105.8 -23.16 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.184 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.81 -5.8 2.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.602 HD13 HG13 ' A' ' 108' ' ' ILE . 41.2 mt -71.04 92.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.107 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.544 ' O ' HD12 ' A' ' 84' ' ' LEU . 75.0 m -55.15 127.87 31.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -74.84 123.11 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.606 HD13 ' HD1' ' A' ' 104' ' ' TYR . 7.8 mp -98.08 -47.94 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.614 HD22 HG22 ' A' ' 101' ' ' VAL . 9.5 tp -85.57 160.34 19.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -113.85 147.78 38.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.15 0.97 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.5 p -65.32 -46.52 79.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.493 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.1 m-20 -42.42 -48.85 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.1 mmt -55.75 -36.83 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.9 t -72.07 -41.46 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 89' ' ' ASP . 36.1 mt -58.91 -65.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.538 ' C ' HD12 ' A' ' 93' ' ' LEU . 4.4 pp -81.32 156.79 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.49 -57.84 3.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.533 ' C ' HD13 ' A' ' 93' ' ' LEU . 2.3 mm -115.75 124.07 30.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.63 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.8 m-20 -110.92 101.04 9.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' ASP . 12.5 ttpt -36.95 -52.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 mt -50.3 -50.28 51.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.3 m -57.73 -70.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.614 HG22 HD22 ' A' ' 85' ' ' LEU . 99.4 t -41.34 -60.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.1 mtp -42.68 -49.2 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -52.63 -56.47 15.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.606 ' HD1' HD13 ' A' ' 84' ' ' LEU . 12.3 t80 -50.48 -47.36 57.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.524 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.0 mt -53.36 -59.54 4.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 105' ' ' LEU . 11.7 m-85 -37.54 -32.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' LEU . 24.5 mm-40 -68.7 -44.15 74.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.602 HG13 HD13 ' A' ' 81' ' ' ILE . 3.8 mp -68.31 -54.25 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.517 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 8.8 ttt-85 -55.39 -40.76 71.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.57 80.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.423 ' NE2' HD12 ' A' ' 79' ' ' ILE . 18.2 t60 -51.04 -42.63 60.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.478 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 70.1 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.711 ' O ' HG23 ' A' ' 16' ' ' VAL . 10.7 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.8 p -42.17 -57.3 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' CZ ' ' A' ' 33' ' ' PHE . 45.3 tp -57.55 -63.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD1' HG22 ' A' ' 30' ' ' ILE . 6.4 tp -40.4 -31.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 12' ' ' GLN . 59.6 t -80.24 -50.67 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.599 ' HZ3' HD13 ' A' ' 46' ' ' ILE . 76.4 t90 -35.55 -50.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.513 ' SG ' HD11 ' A' ' 46' ' ' ILE . 34.2 t -67.22 -67.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -42.0 -27.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.84 -56.38 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 17' ' ' TRP . 2.9 m -67.04 -16.47 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.483 ' HB ' HG11 ' A' ' 28' ' ' VAL . 72.5 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG11 ' HB ' ' A' ' 22' ' ' THR . 12.2 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.891 0.377 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.88 127.8 31.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.401 HG22 ' CD1' ' A' ' 15' ' ' LEU . 5.3 mp -113.05 86.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.655 HG23 ' ND2' ' A' ' 32' ' ' ASN . 9.5 t -93.86 -30.79 14.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.655 ' ND2' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -148.7 145.94 27.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 105' ' ' LEU . 38.2 m-85 -80.37 39.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 32.0 p -128.84 -68.61 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -86.67 -38.11 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 48.9 m -46.33 -28.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.868 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 14.3 m95 -111.11 -22.19 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 94' ' ' ALA . 5.5 ttp180 -35.32 -57.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.496 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 8.8 p-10 -59.95 -55.56 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.42 -7.55 9.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 62' ' ' PRO . 15.2 mt -51.11 -55.04 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -54.59 -46.63 73.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 9.5 m-85 -53.13 -49.25 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 70.0 m -67.53 -44.7 77.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.98 -54.46 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.599 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 43.0 mt -51.54 -60.45 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.665 ' HG ' HD11 ' A' ' 55' ' ' ILE . 35.1 tp -57.83 -24.41 57.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 57' ' ' TYR . 47.9 t-80 -77.22 -33.55 56.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 11.9 t60 -59.52 -47.32 85.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CD2' ' CE2' ' A' ' 112' ' ' PHE . 2.0 m-85 -71.15 -38.71 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.81 ' HB2' HD12 ' A' ' 54' ' ' LEU . 6.0 mmt180 -144.95 105.38 4.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.858 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.6 5.42 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.302 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -108.4 -31.48 7.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.81 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.8 mt -47.73 -40.67 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.665 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -125.46 177.08 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.813 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.612 ' H ' HG22 ' A' ' 55' ' ' ILE . 2.7 t70 -108.21 30.12 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.583 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 36.4 t80 -53.92 -21.9 8.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -62.74 -24.23 67.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -130.94 28.72 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.1 mt -92.95 -174.84 3.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.9 m120 -172.1 159.62 4.39 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.448 ' HB3' HD11 ' A' ' 41' ' ' LEU . 53.5 Cg_endo -69.85 3.17 2.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.93 -10.53 59.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.427 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 16.0 m-20 -114.6 113.55 24.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.1 mt -95.31 -52.4 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 15.4 ttpp -68.5 -55.4 11.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 3.0 tp10 -52.45 -67.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' GLU . 54.2 m-20 -35.33 -40.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.4 m-80 -75.43 -47.75 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' GLU . 18.4 ttpt -56.14 -40.96 74.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -53.89 -48.73 69.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.563 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -63.2 -63.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.442 ' CZ ' ' O ' ' A' ' 85' ' ' LEU . 22.6 m-85 -39.09 -35.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.33 -38.98 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -72.64 -60.69 3.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 46.3 m-85 -50.95 -49.79 59.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.08 -27.18 68.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 t -48.81 -32.85 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 76' ' ' PHE . 8.7 pt -93.8 -31.1 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.15 -23.69 0.59 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.543 HD13 HG13 ' A' ' 108' ' ' ILE . 97.4 mt -57.37 90.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.3 m -47.04 171.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.45 106.16 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.65 HD13 ' HD1' ' A' ' 104' ' ' TYR . 6.9 mp -88.25 -36.38 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.446 HD22 HG22 ' A' ' 101' ' ' VAL . 15.7 tp -105.07 140.44 38.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -99.21 148.32 34.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.403 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.77 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.472 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 90.7 p -53.63 -55.44 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.438 ' HA ' HD12 ' A' ' 92' ' ' LEU . 5.4 m-20 -38.59 -47.98 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.9 mmt -50.78 -45.54 59.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.69 -46.89 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 89' ' ' ASP . 29.2 mt -55.38 -69.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.96 147.2 48.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.422 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -69.31 -48.03 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.2 mm -128.42 123.35 22.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.488 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.7 Cg_endo -69.76 151.01 68.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.317 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.79 109.97 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -49.16 -44.69 43.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.37 -51.88 66.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.5 m -57.51 -55.59 32.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.446 HG22 HD22 ' A' ' 85' ' ' LEU . 87.9 t -53.27 -61.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.4 mtp -46.57 -41.7 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.7 m -56.78 -54.33 47.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.65 ' HD1' HD13 ' A' ' 84' ' ' LEU . 17.3 t80 -53.94 -58.85 5.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.868 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.1 mt -42.72 -57.31 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' LEU . 19.1 m-85 -36.84 -34.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 105' ' ' LEU . 65.8 mm-40 -65.75 -56.59 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.3 mp -57.56 -62.46 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.421 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 22.9 ttt180 -47.87 -36.06 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.14 -31.77 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -67.4 -48.91 65.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.701 ' CE2' ' CD2' ' A' ' 50' ' ' PHE . 36.6 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m -92.94 143.93 25.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -147.64 113.23 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.82 77.5 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m 41.2 43.81 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -105.69 81.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.49 74.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 110.23 2.52 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.653 2.235 . . . . 0.0 112.299 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 9' ' ' ASN . 2.3 p30 -142.21 143.65 33.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.96 165.49 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.6 p -85.35 -56.7 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.2 tm0? -58.49 -46.56 86.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' OE1' ' A' ' 12' ' ' GLN . 9.3 t -43.81 -48.83 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' VAL . 32.0 tp -65.72 -68.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' CD1' HG22 ' A' ' 30' ' ' ILE . 4.9 tp -37.57 -30.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 12' ' ' GLN . 89.5 t -81.22 -49.38 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.402 ' O ' HG13 ' A' ' 21' ' ' VAL . 83.1 t90 -48.3 -44.31 33.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' SG ' HG21 ' A' ' 30' ' ' ILE . 8.8 p -71.28 -45.52 62.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG3' HD13 ' A' ' 30' ' ' ILE . 39.1 mtpt -65.24 -22.33 66.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -75.27 -61.77 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.481 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.4 m -58.36 -18.9 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.777 ' HB ' HG11 ' A' ' 28' ' ' VAL . 77.9 p -111.54 19.79 17.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -62.48 -38.17 88.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -102.28 46.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.538 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 7.9 m-85 -119.64 170.78 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 26' ' ' ARG . 1.7 mpp_? -114.96 127.7 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.18 30.02 63.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.529 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.777 HG11 ' HB ' ' A' ' 22' ' ' THR . 56.2 t -114.88 91.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 31' ' ' THR . 19.5 tttp -121.51 86.84 2.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.1 mp -64.96 73.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' LYS . 32.8 p -79.98 -38.79 31.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.6 OUTLIER -136.59 165.49 25.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 34.1 m-85 -101.88 6.92 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.424 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 25.3 p -107.32 -60.81 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 38' ' ' ARG . 22.2 p -80.94 -54.06 5.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' ASN . 1.8 t -37.34 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.756 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 16.0 m95 -106.7 -21.51 13.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 65' ' ' ILE . 27.9 ttp180 -37.53 -49.09 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 p30 -73.57 -51.33 17.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.37 34.48 1.1 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 41' ' ' LEU . 14.6 mt -81.8 -61.7 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.518 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 50.7 m -53.34 -33.89 55.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -62.06 -43.09 99.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.3 m -78.85 -34.37 45.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -61.24 -47.24 86.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.62 -59.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 55' ' ' ILE . 35.7 tp -54.81 -28.75 51.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 53.9 t-80 -73.93 -29.69 62.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.481 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 25.1 t60 -59.17 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -75.47 -52.62 10.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HB2' HD12 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -127.68 88.1 54.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.583 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -5.05 15.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.226 . . . . 0.0 112.382 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.52 17.33 23.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -104.12 -35.53 8.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.681 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -118.88 -179.11 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.681 ' H ' HG22 ' A' ' 55' ' ' ILE . 4.3 m-20 -111.83 25.43 11.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 23.2 t80 -50.13 -20.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -60.55 -32.47 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -129.22 34.0 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.7 mt -91.81 -175.06 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.7 m120 -173.35 159.71 3.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 3.26 2.87 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.623 2.215 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.45 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.6 pp0? -80.37 -7.72 59.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 14.9 m-20 -117.48 113.59 22.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 38' ' ' ARG . 70.8 mt -96.65 -48.13 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -69.66 -56.12 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' ASN . 2.3 tp10 -54.08 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' GLU . 73.3 m-20 -34.35 -41.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 2.4 m-80 -73.08 -52.79 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -52.32 -48.34 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HE2' HD21 ' A' ' 60' ' ' LEU . 20.1 mtpp -50.26 -45.56 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.98 -67.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.491 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 8.4 m-85 -43.23 -32.17 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -68.02 -42.7 80.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 78' ' ' SER . . . -79.95 -54.93 3.7 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -52.13 -53.64 40.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -65.99 -8.06 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 2.5 t -72.67 -35.79 67.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.782 HD12 ' CE1' ' A' ' 111' ' ' HIS . 11.2 pt -84.42 -23.74 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.48 27.88 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.641 ' CD1' HD11 ' A' ' 79' ' ' ILE . 96.4 mt -99.6 95.91 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.6 m -44.19 138.87 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.06 128.41 35.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 104' ' ' TYR . 43.4 mt -113.2 -40.54 3.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 tp -96.54 150.97 20.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -110.85 146.07 33.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.14 2.79 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 p -61.73 -53.04 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.735 ' HA ' HD12 ' A' ' 92' ' ' LEU . 19.2 m-20 -37.84 -55.78 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mmt -42.56 -40.74 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 t -79.5 -41.91 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 89' ' ' ASP . 38.3 mt -53.08 -27.48 20.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.31 -174.9 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.43 -66.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.109 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.2 mm -107.1 128.06 26.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.424 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.0 Cg_endo -69.76 -178.53 2.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -92.51 107.31 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -48.32 -43.74 33.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.12 -48.89 79.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.7 m -62.28 -62.56 1.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.3 t -42.67 -62.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.6 mtp -44.56 -47.15 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.8 m -52.27 -53.73 40.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.615 ' O ' HD12 ' A' ' 108' ' ' ILE . 25.1 t80 -59.28 -46.11 89.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.756 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 13.7 mt -52.36 -56.87 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -41.38 -43.1 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -53.78 -60.18 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.799 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.1 mp -50.82 -55.83 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 -54.4 -34.05 60.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.37 64.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.782 ' CE1' HD12 ' A' ' 79' ' ' ILE . 29.6 t60 -49.34 -62.18 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -60.99 -44.68 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.4 t -113.97 94.85 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.3 t -42.37 153.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 176.98 -87.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 137.56 35.57 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.64 2.226 . . . . 0.0 112.355 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.6 t -126.45 84.53 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.7 m -80.47 139.65 36.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -120.36 107.1 12.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -40.36 -57.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.97 -156.45 28.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 m -104.56 97.72 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -88.1 -48.11 7.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.29 -164.73 25.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 93.05 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.316 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -94.18 159.24 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.33 93.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m 39.07 42.97 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.882 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.6 tt0 -123.34 -33.39 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.7 p -63.9 -40.54 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 105' ' ' LEU . 14.3 tp -57.07 -61.36 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 3.5 tp -53.9 -20.96 6.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 12' ' ' GLN . 49.7 t -90.91 -32.0 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.527 ' O ' HG13 ' A' ' 21' ' ' VAL . 78.7 t90 -65.27 -45.23 85.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.625 ' SG ' HG21 ' A' ' 30' ' ' ILE . 8.5 p -72.06 -31.52 66.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 19.5 mtpt -80.64 -30.01 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -69.23 -49.83 52.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.572 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 4.5 m -67.94 -25.35 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.67 ' CB ' HG11 ' A' ' 28' ' ' VAL . 38.1 p -107.71 22.25 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -61.98 -35.45 78.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -105.93 47.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 7.3 m-85 -119.53 179.57 4.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -122.76 126.5 47.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.25 60.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.67 HG11 ' CB ' ' A' ' 22' ' ' THR . 61.9 t -119.14 87.9 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.374 . . . . 0.0 111.122 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -119.58 85.8 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.625 HG21 ' SG ' ' A' ' 18' ' ' CYS . 5.3 mp -68.84 74.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -81.59 -30.66 32.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -137.57 -179.51 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.512 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 27.5 m-85 -117.51 24.88 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 35.0 p -124.7 -71.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.662 ' CG2' HD12 ' A' ' 95' ' ' ILE . 77.2 p -75.12 -47.73 27.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 t -44.71 -22.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.68 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 55.5 m95 -110.83 -25.08 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -37.85 -48.66 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -67.04 -46.24 75.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 105.67 29.4 5.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.75 -61.29 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.565 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 74.1 m -50.92 -32.61 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -64.32 -46.2 84.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.0 m -75.01 -37.02 61.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.705 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -60.47 -47.33 86.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 42' ' ' SER . 21.6 mt -57.74 -59.47 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.632 HD21 ' HA3' ' A' ' 75' ' ' GLY . 27.7 tp -57.7 -25.79 60.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 65.1 t-80 -81.64 -21.14 38.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 34.7 t60 -66.21 -59.33 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.441 ' CE2' ' CD2' ' A' ' 112' ' ' PHE . 19.2 m-85 -72.1 -42.04 66.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 1.1 tpm_? -134.15 83.51 44.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.511 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.78 -0.81 7.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -100.74 14.35 31.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.433 ' HG ' ' CG ' ' A' ' 51' ' ' ARG . 32.9 mt -106.1 -27.42 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.721 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -127.7 -176.11 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.721 ' H ' HG22 ' A' ' 55' ' ' ILE . 22.8 t70 -117.33 26.68 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.705 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 13.7 t80 -51.08 -20.01 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -61.58 -31.02 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.4 t -130.63 33.95 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.875 HD11 ' HE3' ' A' ' 71' ' ' LYS . 10.3 mt -91.34 -177.69 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -166.53 160.05 11.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 3.28 2.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.413 ' C ' ' OE1' ' A' ' 63' ' ' GLN . 1.8 pp0? -80.25 -11.75 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -112.04 113.49 25.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.0 mt -102.14 -54.47 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HB2' HG21 ' A' ' 91' ' ' VAL . 1.1 ttmp? -71.86 -33.98 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HG2' ' HZ3' ' A' ' 71' ' ' LYS . 15.2 tt0 -73.43 -61.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.426 ' HA ' ' NZ ' ' A' ' 71' ' ' LYS . 35.5 m-20 -40.5 -51.05 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.575 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.7 m-80 -61.39 -57.95 10.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -43.02 -46.82 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.875 ' HE3' HD11 ' A' ' 60' ' ' LEU . 28.6 mtmm -51.78 -57.79 8.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -51.8 -63.87 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 13.5 m-85 -38.22 -29.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' ALA . 7.9 t70 -77.16 -45.15 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.632 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -71.79 -39.1 60.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 27.5 m-85 -74.62 -46.03 41.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -68.61 -23.4 64.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -58.68 -44.18 90.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 81' ' ' ILE . 11.2 pt -72.93 -35.53 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.29 40.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.697 ' CD1' HD11 ' A' ' 79' ' ' ILE . 64.5 mt -111.23 94.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ILE . 24.8 m -37.38 135.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -86.8 104.6 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 104' ' ' TYR . 59.8 mt -85.35 -53.73 5.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.62 HD22 HG22 ' A' ' 101' ' ' VAL . 11.0 tp -83.94 147.76 27.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -109.15 148.47 38.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.77 -46.66 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.0 t -63.99 -60.33 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -34.44 -46.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.497 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 5.8 mmm -51.51 -46.32 63.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.488 HG21 ' HB2' ' A' ' 66' ' ' LYS . 25.9 t -67.63 -46.75 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 89' ' ' ASP . 74.8 mt -48.01 -63.96 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.476 ' C ' HD12 ' A' ' 93' ' ' LEU . 4.7 pp -79.75 174.83 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.33 -63.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.662 HD12 ' CG2' ' A' ' 35' ' ' THR . 43.7 mm -114.53 128.78 25.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.4 Cg_endo -69.73 152.23 69.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.381 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.35 99.93 1.28 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.415 ' HB2' ' CG2' ' A' ' 34' ' ' THR . 26.1 ttpt -39.28 -47.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 74.2 mt -51.13 -51.11 56.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 101' ' ' VAL . 27.5 m -58.6 -72.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.62 HG22 HD22 ' A' ' 85' ' ' LEU . 95.4 t -36.75 -58.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.9 mtp -46.26 -49.1 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.3 m -54.21 -33.65 58.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 108' ' ' ILE . 27.1 t80 -76.56 -44.45 34.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.68 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 16.6 mt -53.74 -51.29 63.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -47.17 -36.99 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.563 ' O ' ' CD2' ' A' ' 111' ' ' HIS . 51.8 mm-40 -61.92 -61.37 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.795 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.1 mp -53.47 -57.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.413 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -53.47 -34.75 59.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.15 -56.1 10.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 107' ' ' GLN . 57.3 m-70 -56.87 -52.16 66.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.441 ' CD2' ' CE2' ' A' ' 50' ' ' PHE . 10.3 m-85 -62.59 -42.34 99.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 t -138.42 138.9 38.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 t -98.04 171.77 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -84.13 -107.63 0.58 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.78 67.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 77.8 p -75.03 84.29 2.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 84.8 p -79.02 48.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.531 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.2 p -109.06 134.4 51.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -50.24 -44.45 53.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.29 151.02 9.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 m -73.87 -45.61 49.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -94.85 87.05 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.05 83.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.46 12.04 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -57.41 -58.75 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.87 144.08 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -81.89 7.34 13.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -88.69 -46.34 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 m -45.27 -37.95 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.9 tp -60.96 -66.91 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -42.15 -42.69 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.79 -48.86 68.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.486 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 86.6 t90 -45.47 -48.25 13.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.514 ' O ' HG22 ' A' ' 21' ' ' VAL . 7.4 m -64.74 -67.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -43.76 -24.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.35 -57.68 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.661 HG23 HG23 ' A' ' 22' ' ' THR . 6.3 m -60.82 -25.33 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.786 ' HB ' HG11 ' A' ' 28' ' ' VAL . 65.1 p -110.11 23.38 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -66.09 -29.07 69.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -110.06 46.54 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.554 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 8.8 m-85 -119.8 177.62 4.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.6 126.4 52.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.83 32.13 77.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.786 HG11 ' HB ' ' A' ' 22' ' ' THR . 57.7 t -113.74 89.56 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' CG ' HG23 ' A' ' 31' ' ' THR . 2.7 tppp? -121.71 108.43 13.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mp -93.25 75.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.481 HG23 ' CG ' ' A' ' 29' ' ' LYS . 3.3 p -79.42 -29.41 41.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -139.5 179.64 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 35.3 m-85 -118.4 23.12 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 96' ' ' PRO . 23.5 p -117.44 -73.31 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.3 p -80.66 -40.26 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 t -45.72 -26.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.748 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 28.4 m95 -110.35 -21.01 12.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.49 ' NH1' HD13 ' A' ' 65' ' ' ILE . 15.2 ttt-85 -39.82 -44.93 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -68.99 -52.39 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.1 30.65 2.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 mt -81.67 -66.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.438 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 53.2 m -46.52 -39.96 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 15.1 m-85 -56.82 -56.08 26.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.6 m -65.29 -37.32 86.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -60.78 -47.2 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.556 HG12 HG21 ' A' ' 21' ' ' VAL . 62.6 mt -55.93 -59.41 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.499 ' HG ' HD11 ' A' ' 55' ' ' ILE . 40.4 tp -53.67 -31.07 46.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 33.9 t-80 -74.53 -34.03 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 32.6 t60 -53.84 -47.71 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -76.89 -44.53 31.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.821 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.9 mmt180 -133.12 96.95 17.02 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.606 0.717 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 3.53 2.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -120.87 28.36 7.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.821 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -109.98 -37.21 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.728 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -122.3 -177.18 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' ILE . 27.7 m-20 -113.86 29.61 7.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 20.1 t80 -54.32 -26.13 27.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -61.77 -20.66 63.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -132.09 26.61 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.9 mt -92.47 -175.15 3.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.9 m120 -171.49 159.62 4.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 2.97 3.1 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.84 -8.33 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.42 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 10.5 m-20 -116.57 112.68 21.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.49 HD13 ' NH1' ' A' ' 38' ' ' ARG . 14.3 mt -95.8 -48.3 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.593 ' HB2' HG21 ' A' ' 91' ' ' VAL . 1.3 ttmp? -75.52 -49.86 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' ASN . 11.5 tt0 -58.92 -65.06 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' GLU . 29.8 m-20 -34.93 -56.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.498 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 17.1 m-80 -59.89 -48.24 82.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -52.41 -44.84 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -47.42 -55.59 8.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -58.13 -65.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 19.6 m-85 -34.63 -48.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -57.82 -45.86 85.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -73.49 -55.93 5.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.555 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 18.8 m-85 -50.27 -52.15 38.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.84 -7.54 28.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 4.0 t -74.31 -38.14 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.446 HD12 ' NE2' ' A' ' 111' ' ' HIS . 6.2 pt -83.39 -29.27 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.06 32.17 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.3 mt -105.92 102.08 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.147 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.2 m -56.68 111.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -67.8 102.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 104' ' ' TYR . 62.5 mt -78.24 -48.41 15.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.44 HD21 ' CE ' ' A' ' 90' ' ' MET . 18.1 tp -83.31 154.8 23.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -112.79 144.7 31.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.711 0.767 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.1 Cg_endo -69.81 -46.44 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.298 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.3 m -60.09 -48.01 83.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -43.62 -49.98 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.44 ' CE ' HD21 ' A' ' 85' ' ' LEU . 3.7 mmt -46.95 -38.22 10.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.593 HG21 ' HB2' ' A' ' 66' ' ' LYS . 33.6 t -79.83 -45.9 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.5 mt -48.86 -60.48 2.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.2 pp -88.39 -178.78 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.429 ' N ' HD12 ' A' ' 93' ' ' LEU . . . -96.42 -65.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.463 ' O ' HD13 ' A' ' 93' ' ' LEU . 36.4 mm -109.38 125.07 32.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.401 ' HG3' ' O ' ' A' ' 34' ' ' THR . 53.7 Cg_endo -69.81 159.08 54.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.375 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LYS . 0.7 OUTLIER -79.99 98.45 7.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 97' ' ' ASP . 23.0 ttpt -35.62 -54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.4 mt -44.56 -48.3 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.0 m -63.4 -62.0 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.9 t -47.79 -61.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 24.9 mtp -42.56 -47.34 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.6 m -54.47 -54.43 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.512 ' HA ' HD12 ' A' ' 84' ' ' LEU . 39.5 t80 -53.88 -54.32 40.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.748 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 17.6 mt -42.81 -60.58 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -38.43 -37.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -59.81 -55.26 36.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -58.08 -58.88 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.486 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.42 -41.03 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.89 -46.01 79.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.446 ' NE2' HD12 ' A' ' 79' ' ' ILE . 41.3 t60 -47.21 -60.68 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.62 -49.14 56.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.3 t -102.16 103.54 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -56.1 165.16 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.7 -157.48 1.18 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.0 7.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.6 m -102.2 135.35 43.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.8 t -97.04 96.99 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.457 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -101.52 109.16 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 p -73.65 -47.65 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.15 -106.58 0.91 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -94.6 126.82 40.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -60.52 130.29 45.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.32 131.27 2.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' ASN . 53.8 Cg_endo -69.79 -0.74 7.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' PRO . 2.8 t30 -34.81 -46.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.63 136.0 37.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' GLN . 49.2 p -53.82 -52.82 59.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.6 ' O ' HG23 ' A' ' 16' ' ' VAL . 36.0 tp60 -34.64 -41.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 t -42.19 -50.52 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.65 -59.92 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -38.85 -41.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 12' ' ' GLN . 37.6 t -68.84 -56.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 78.7 t90 -41.91 -49.06 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 m -61.24 -48.76 79.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -65.28 -24.66 67.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.46 -60.29 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.572 HG23 HG23 ' A' ' 22' ' ' THR . 3.8 m -58.22 -18.52 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.747 ' HB ' HG11 ' A' ' 28' ' ' VAL . 68.6 p -114.51 20.67 15.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -66.75 -27.99 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -108.02 39.85 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.511 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 12.3 m-85 -118.39 -179.65 3.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 26' ' ' ARG . 2.0 mpp_? -122.03 134.21 54.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.76 37.74 95.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.537 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.747 HG11 ' HB ' ' A' ' 22' ' ' THR . 75.6 t -118.78 86.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.093 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -117.13 103.18 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -84.62 58.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 48.3 p -71.26 -27.35 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -140.01 171.14 14.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -114.5 34.57 4.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.512 ' HB ' HG23 ' A' ' 95' ' ' ILE . 20.8 p -131.59 -67.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 37' ' ' TRP . 63.5 p -80.47 -49.2 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -38.89 -27.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.848 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 26.9 m95 -107.33 -26.95 10.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.607 ' NH1' HD13 ' A' ' 65' ' ' ILE . 23.6 ttp85 -35.76 -49.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -66.43 -46.78 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.79 29.36 4.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -80.85 -68.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.587 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.2 m -43.63 -37.78 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.44 -54.85 41.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.9 m -66.79 -35.97 81.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.636 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -62.33 -49.15 76.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.521 HG12 HG21 ' A' ' 21' ' ' VAL . 73.0 mt -55.84 -54.71 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 44.5 tp -62.0 -24.7 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.474 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.6 t-80 -79.83 -30.65 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.412 ' N ' ' OH ' ' A' ' 25' ' ' TYR . 38.6 t60 -55.12 -62.44 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -61.01 -51.94 67.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.596 ' HB3' HD12 ' A' ' 54' ' ' LEU . 14.2 tpp180 -129.4 93.28 36.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.474 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 2.97 3.06 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -112.9 28.6 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 51' ' ' ARG . 13.1 mt -114.01 -34.15 5.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.744 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.35 -176.4 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.744 ' H ' HG22 ' A' ' 55' ' ' ILE . 2.6 m-20 -112.78 28.98 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.636 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 23.3 t80 -55.79 -18.48 8.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -68.88 -21.05 64.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -132.76 23.6 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.523 HD21 ' NZ ' ' A' ' 71' ' ' LYS . 9.4 mt -86.78 -174.94 5.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.2 m120 -171.63 159.91 4.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.29 2.85 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.737 2.292 . . . . 0.0 112.328 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' C ' ' OE1' ' A' ' 63' ' ' GLN . 1.7 pp0? -80.13 -11.47 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -112.05 114.23 26.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.607 HD13 ' NH1' ' A' ' 38' ' ' ARG . 18.5 mt -100.39 -44.13 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' HB2' HG21 ' A' ' 91' ' ' VAL . 13.9 ttpt -79.34 -42.75 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 68' ' ' ASN . 4.5 tp10 -66.55 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' GLU . 21.3 m-20 -35.59 -53.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.1 m-80 -62.28 -47.32 84.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -53.33 -47.18 69.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.523 ' NZ ' HD21 ' A' ' 60' ' ' LEU . 29.0 mttt -47.85 -59.53 3.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.813 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -48.48 -71.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' ALA . 7.9 m-85 -34.07 -51.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -51.96 -46.22 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.89 -54.32 4.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.813 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 29.0 m-85 -49.84 -56.12 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.46 -8.56 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.051 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 3.2 t -74.31 -37.46 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.483 HD11 HD11 ' A' ' 81' ' ' ILE . 6.1 pt -83.45 -31.36 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.7 35.83 0.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.483 HD11 HD11 ' A' ' 79' ' ' ILE . 16.8 mt -109.47 93.63 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.7 p -44.27 129.64 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.22 124.5 28.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 104' ' ' TYR . 53.4 mt -107.43 -50.82 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.7 tp -90.2 147.62 23.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -102.28 145.85 31.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.732 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.42 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.3 Cg_endo -69.78 -43.22 2.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.64 2.227 . . . . 0.0 112.337 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.42 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . 88.2 p -67.06 -50.87 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.721 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.5 m-20 -36.67 -47.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.2 mmt -50.13 -47.84 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 66' ' ' LYS . 23.8 t -68.17 -49.34 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 89' ' ' ASP . 61.1 mt -41.94 -59.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.647 ' C ' HD12 ' A' ' 93' ' ' LEU . 1.1 pp -95.06 -179.43 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.42 -67.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.512 HG23 ' HB ' ' A' ' 34' ' ' THR . 28.5 mm -111.08 130.31 23.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.623 0.725 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.18 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.242 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 98' ' ' LYS . 23.8 m-20 -100.03 98.17 8.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 97' ' ' ASP . 16.6 tttp -34.33 -54.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.2 mt -51.11 -54.58 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 98.7 m -53.56 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.6 t -43.27 -60.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.8 mtp -47.93 -47.14 32.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.3 m -51.01 -51.68 50.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.492 ' HA ' HD12 ' A' ' 84' ' ' LEU . 14.5 t80 -59.9 -50.24 74.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.848 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 12.2 mt -47.06 -59.61 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 105' ' ' LEU . 21.9 m-85 -37.57 -43.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -53.87 -60.66 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.657 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -48.17 -53.4 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 31.9 ttt-85 -60.79 -36.85 80.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.51 84.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -52.96 -61.58 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -66.19 -59.48 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 t -89.89 124.91 35.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 p -81.98 93.11 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.44 -84.99 1.64 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.02 69.25 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.2 m -97.12 154.92 17.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.0 t -104.69 -56.12 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 m -51.74 157.38 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 p -124.11 -4.19 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.01 127.52 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -44.07 -44.58 7.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 0.0 110.823 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 p -123.34 157.51 33.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.88 78.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -1.17 8.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 1.0 OUTLIER -71.42 67.94 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB3' ' OG ' ' A' ' 13' ' ' SER . . . -174.32 127.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.4 p -52.6 -43.85 65.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 16' ' ' VAL . 28.7 tt0 -62.91 -54.62 35.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' HB3' ' A' ' 10' ' ' ALA . 68.3 m -36.3 -70.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.92 HD22 ' CE1' ' A' ' 106' ' ' TYR . 47.2 tp -44.85 -53.04 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -52.16 -33.16 39.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 12' ' ' GLN . 60.4 t -76.54 -46.28 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.526 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 75.0 t90 -48.68 -45.78 39.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.493 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.8 m -71.05 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -48.9 -26.21 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -73.12 -56.86 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.63 HG23 HG23 ' A' ' 22' ' ' THR . 14.1 m -62.52 -23.34 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.723 ' HB ' HG11 ' A' ' 28' ' ' VAL . 32.7 p -109.44 24.13 13.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -64.52 -33.38 75.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -114.48 56.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 5.5 m-85 -122.1 173.78 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 -112.3 111.29 22.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.11 48.17 8.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.723 HG11 ' HB ' ' A' ' 22' ' ' THR . 71.3 t -130.66 88.37 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 111.155 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -119.0 93.33 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -73.35 67.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m -80.71 -18.73 46.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -143.12 179.97 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CD1' ' SD ' ' A' ' 102' ' ' MET . 25.8 m-85 -124.9 22.07 8.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.0 p -126.76 -70.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.3 p -74.93 -46.28 36.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -45.16 -25.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.488 ' CH2' HD21 ' A' ' 105' ' ' LEU . 56.4 m95 -106.45 -24.72 12.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.482 ' NH1' HD13 ' A' ' 65' ' ' ILE . 19.5 ttp85 -37.05 -53.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -61.67 -42.82 99.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.02 33.24 4.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -87.02 -65.88 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.483 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 58.5 m -49.68 -27.4 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -69.66 -49.1 56.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.6 m -72.2 -40.75 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -51.09 -54.91 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.051 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.429 HG12 HG21 ' A' ' 21' ' ' VAL . 30.9 mt -48.68 -65.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.574 ' HG ' HD11 ' A' ' 55' ' ' ILE . 35.9 tp -50.58 -26.59 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 46.3 t-80 -74.69 -36.72 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 10.0 t60 -50.29 -55.55 14.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.54 -43.47 63.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.3 mmp_? -134.97 93.43 17.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.528 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 3.29 2.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -108.69 -28.43 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.6 mt -53.31 -34.44 57.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.73 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -122.65 -177.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.73 ' H ' HG22 ' A' ' 55' ' ' ILE . 27.3 t70 -115.3 27.44 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 13.4 t80 -54.16 -20.31 6.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -63.55 -23.24 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.2 t -134.4 30.3 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.485 HD21 ' HE3' ' A' ' 71' ' ' LYS . 10.1 mt -92.21 -174.83 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.7 m120 -173.33 159.75 3.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.39 2.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.6 pp0? -81.08 -5.37 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 9.5 m-20 -120.38 113.3 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.482 HD13 ' NH1' ' A' ' 38' ' ' ARG . 15.8 mt -97.83 -46.77 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -74.88 -48.46 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 37.7 tt0 -61.34 -65.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' GLU . 17.3 m-20 -35.19 -55.42 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.411 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 5.9 m-80 -61.33 -46.23 91.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -55.03 -38.27 67.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.485 ' HE3' HD21 ' A' ' 60' ' ' LEU . 11.5 mttm -52.28 -54.35 32.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.559 ' HB1' ' CD2' ' A' ' 76' ' ' PHE . . . -57.98 -64.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.107 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD2' ' HD3' ' A' ' 87' ' ' PRO . 16.3 m-85 -37.83 -28.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' ALA . 19.6 t70 -85.59 -41.66 15.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.44 -50.93 8.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 19.2 m-85 -58.31 -31.3 67.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.71 -4.2 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.4 m -71.59 -35.61 70.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.652 ' H ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -91.2 -36.22 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.52 42.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.8 mt -107.62 88.29 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.6 m -40.63 130.06 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -81.88 115.67 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.646 HD11 ' NE2' ' A' ' 107' ' ' GLN . 67.4 mt -98.4 -50.31 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD21 ' SD ' ' A' ' 90' ' ' MET . 19.9 tp -85.43 147.27 26.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -105.0 148.15 35.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.416 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.7 Cg_endo -69.79 -45.76 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.0 p -62.59 -41.63 99.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -48.36 -50.7 29.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.437 ' SD ' HD21 ' A' ' 85' ' ' LEU . 4.0 mmt -50.6 -28.02 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.4 t -87.72 -46.31 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.8 mt -47.49 -68.07 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.4 pp -81.89 176.16 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.21 -64.19 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.441 ' O ' HD13 ' A' ' 93' ' ' LEU . 4.8 mm -112.94 125.78 29.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.23 19.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 100' ' ' THR . 5.9 m-20 -83.79 96.2 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 97' ' ' ASP . 21.7 tttt -34.33 -41.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.3 -49.95 74.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 103' ' ' THR . 89.6 m -59.32 -73.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' THR . 98.0 t -34.42 -56.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.568 ' SD ' HD23 ' A' ' 14' ' ' LEU . 26.1 mmm -52.29 -42.65 63.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 100' ' ' THR . 97.9 m -57.64 -38.46 75.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -73.01 -43.49 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.488 HD21 ' CH2' ' A' ' 37' ' ' TRP . 14.1 mt -52.21 -55.26 22.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.92 ' CE1' HD22 ' A' ' 14' ' ' LEU . 23.8 m-85 -41.73 -34.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.646 ' NE2' HD11 ' A' ' 84' ' ' LEU . 24.6 mt-30 -63.14 -59.16 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.0 mp -51.09 -58.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.526 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 9.2 ttt-85 -55.08 -39.41 69.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.12 -51.84 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -51.71 -67.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -56.04 -50.24 71.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -104.15 96.19 6.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.7 p -39.7 129.04 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.43 -147.23 4.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 90.73 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.353 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.2 t -161.95 124.74 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.2 t -45.12 -59.07 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -130.67 -55.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -65.33 114.95 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.03 107.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -162.02 145.37 11.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -140.82 152.39 45.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.13 145.57 17.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.535 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -0.4 6.9 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -41.79 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.07 174.67 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -86.55 11.23 13.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.707 ' O ' HG23 ' A' ' 16' ' ' VAL . 35.9 tp60 -76.2 -43.24 43.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -52.7 -50.56 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 106' ' ' TYR . 31.3 tp -58.86 -65.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' CD1' HG22 ' A' ' 30' ' ' ILE . 7.7 tp -39.38 -42.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 12' ' ' GLN . 31.2 t -76.74 -35.13 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.571 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 41.8 t90 -45.29 -49.07 12.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.625 ' SG ' HD11 ' A' ' 30' ' ' ILE . 52.6 t -69.62 -56.04 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.922 ' HG3' HD13 ' A' ' 30' ' ' ILE . 8.1 mtpm? -52.57 -17.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -81.37 -56.71 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.5 m -68.91 -20.6 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.567 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 44.0 p -105.56 25.84 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -72.42 -33.11 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -102.74 42.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.567 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 17.1 m-85 -119.02 176.21 5.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -122.63 111.07 16.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.75 44.74 7.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 22' ' ' THR . 32.5 t -128.99 96.2 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.102 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -120.37 143.91 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.922 HD13 ' HG3' ' A' ' 19' ' ' LYS . 5.2 mp -118.57 56.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.5 m -74.19 -17.61 60.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.172 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -145.79 176.26 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CE1' HD13 ' A' ' 105' ' ' LEU . 8.5 m-85 -120.99 24.67 10.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.453 HG22 ' HG2' ' A' ' 96' ' ' PRO . 0.7 OUTLIER -134.5 -69.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.5 p -74.5 -31.45 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -61.36 -29.12 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 22.9 m95 -107.09 -18.49 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.1 ttt-85 -37.93 -49.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -64.82 -55.3 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.7 26.55 2.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -78.85 -69.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.541 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 63.4 m -43.32 -33.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 9.4 m-85 -65.51 -54.02 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.7 m -65.78 -39.31 90.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.54 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -59.91 -47.07 87.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mt -56.94 -53.1 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.61 HD21 ' HA3' ' A' ' 75' ' ' GLY . 44.6 tp -63.68 -29.39 70.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 61.5 t-80 -74.52 -33.99 62.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 72.7 t60 -52.95 -60.59 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -61.81 -51.17 69.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.637 ' HB3' HD12 ' A' ' 54' ' ' LEU . 8.2 tpp180 -132.84 94.54 21.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.822 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.77 0.58 5.45 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -107.58 20.26 19.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 51' ' ' ARG . 12.4 mt -107.52 -34.6 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.683 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -122.25 -179.61 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.683 ' H ' HG22 ' A' ' 55' ' ' ILE . 5.2 t0 -112.33 31.31 6.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 12.0 t80 -56.81 -21.32 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -64.33 -20.35 66.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -133.85 25.79 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.6 mt -89.3 -174.64 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 4.8 m120 -173.68 160.21 3.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.83 2.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.421 ' C ' ' CD ' ' A' ' 63' ' ' GLN . 1.5 pp0? -82.35 -4.79 57.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -119.65 113.64 20.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 ' HA ' ' A' ' 39' ' ' ASN . 26.9 mt -98.7 -43.72 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 21.8 ttpt -76.9 -51.99 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 68' ' ' ASN . 3.7 tp10 -56.54 -66.23 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 67' ' ' GLU . 53.3 m-20 -34.37 -49.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.2 m-80 -62.99 -52.09 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -52.79 -44.68 66.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -49.0 -58.51 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -55.0 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.471 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 13.6 m-30 -37.85 -39.06 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.43 -42.08 83.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.61 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -74.39 -58.43 4.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 34.8 m-85 -52.7 -46.15 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -72.29 0.41 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -85.75 -32.54 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.59 HD12 ' NE2' ' A' ' 111' ' ' HIS . 4.1 pt -87.11 -30.84 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.17 33.71 0.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.505 HD13 HG13 ' A' ' 108' ' ' ILE . 36.3 mt -106.71 87.55 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.5 m -47.94 107.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 151.92 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 104' ' ' TYR . 33.2 mt -131.48 -49.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.532 HD22 HG22 ' A' ' 101' ' ' VAL . 13.0 tp -82.59 157.24 23.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 89' ' ' ASP . 15.9 mt-10 -106.84 142.78 25.72 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.635 0.731 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -43.41 2.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.442 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 59.9 p -68.53 -38.71 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.425 ' CG ' ' HB2' ' A' ' 86' ' ' GLU . 6.8 m-20 -49.05 -51.07 33.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -49.0 -19.57 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.418 HG21 ' HB2' ' A' ' 66' ' ' LYS . 24.8 t -99.82 -41.97 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.7 mt -51.06 -33.02 23.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.87 178.43 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.57 -66.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mm -107.72 128.74 25.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.453 ' HG2' HG22 ' A' ' 34' ' ' THR . 53.5 Cg_endo -69.8 -171.14 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.99 98.0 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -38.19 -39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.42 -54.16 44.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.416 ' CG2' HD13 ' A' ' 85' ' ' LEU . 4.1 m -57.77 -67.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.532 HG22 HD22 ' A' ' 85' ' ' LEU . 61.2 t -39.74 -60.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.3 mtp -42.99 -52.55 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.5 m -47.54 -44.79 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.556 ' HA ' HD12 ' A' ' 84' ' ' LEU . 11.3 t80 -67.39 -47.61 69.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.473 HD13 ' CE1' ' A' ' 33' ' ' PHE . 20.4 mt -51.32 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.451 ' CE1' HD22 ' A' ' 14' ' ' LEU . 43.7 m-85 -34.24 -40.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -60.02 -56.83 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.676 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.0 mp -53.66 -50.67 49.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.571 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 18.6 ttp180 -60.03 -39.1 84.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 114' ' ' SER . . . -66.34 -46.55 76.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.59 ' NE2' HD12 ' A' ' 79' ' ' ILE . 32.1 t60 -48.03 -50.54 27.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -80.47 -61.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.6 m -58.65 -58.63 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 110' ' ' ALA . 3.4 m 62.34 42.73 8.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.62 -172.93 55.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -19.1 36.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.629 2.219 . . . . 0.0 112.364 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.9 t -98.88 161.42 13.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 t -138.68 153.91 48.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -75.79 160.66 29.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -126.12 163.99 21.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.31 169.26 35.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -145.7 161.11 40.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -149.79 159.77 44.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.94 -158.03 10.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' ASN . 54.0 Cg_endo -69.72 2.87 3.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' PRO . 9.6 p-10 -34.29 -48.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.96 156.07 45.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' GLN . 83.6 p -49.06 -43.12 40.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' SER . 32.8 tt0 -35.79 -38.55 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 p -42.07 -68.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' TRP . 20.5 tp -41.45 -60.18 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -46.06 -30.24 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 12' ' ' GLN . 84.8 t -87.68 -26.76 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.54 ' O ' HG13 ' A' ' 21' ' ' VAL . 74.0 t90 -68.34 -38.45 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.53 ' SG ' HG21 ' A' ' 30' ' ' ILE . 16.6 p -75.92 -49.89 16.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -61.77 -16.15 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -81.55 -57.04 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 17' ' ' TRP . 2.0 m -65.86 -21.21 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.798 ' HB ' HG11 ' A' ' 28' ' ' VAL . 80.4 p -102.37 28.32 6.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -75.97 124.1 26.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 68.51 40.31 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 4.4 m-85 -94.17 170.38 9.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -83.03 63.82 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 84.99 1.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.798 HG11 ' HB ' ' A' ' 22' ' ' THR . 60.9 t -147.36 107.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 130.91 50.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.53 HG21 ' SG ' ' A' ' 18' ' ' CYS . 5.2 mp -120.28 84.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.523 HG23 ' ND2' ' A' ' 32' ' ' ASN . 6.7 t -98.04 -24.13 15.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.523 ' ND2' HG23 ' A' ' 31' ' ' THR . 5.3 m-20 -146.52 164.09 33.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -105.41 40.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 96' ' ' PRO . 19.9 p -133.33 -74.41 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 95' ' ' ILE . 35.2 p -79.66 -39.66 30.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -45.25 -31.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 36.2 m95 -104.98 -21.16 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 65' ' ' ILE . 8.0 ttt-85 -40.13 -40.37 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 5.3 p-10 -74.94 -57.05 4.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.83 -22.56 4.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 mt -38.36 -54.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.585 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 51.9 m -59.24 -41.48 88.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.65 -51.13 70.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' ALA . 90.8 m -68.06 -59.44 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.619 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -34.53 -48.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.8 mt -55.27 -59.99 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.747 ' HG ' HD11 ' A' ' 55' ' ' ILE . 37.7 tp -56.36 -24.05 41.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.598 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 12.2 t-80 -75.5 -33.84 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.48 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 26.7 t60 -54.76 -47.3 74.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -73.36 -44.35 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 5.3 mmm180 -143.74 105.82 4.97 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.598 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 3.18 2.93 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.46 -42.3 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.5 mt -41.72 -34.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.747 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -125.11 -175.8 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' ILE . 19.9 m-20 -117.79 26.73 9.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.619 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 15.9 t80 -52.38 -20.12 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -61.24 -26.42 67.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -133.3 33.3 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.7 mt -94.98 -175.42 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 5.5 m120 -171.9 159.78 4.59 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.5 2.76 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.445 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -78.9 -17.42 55.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 18.3 m-20 -106.26 114.67 28.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.62 HG23 ' O ' ' A' ' 38' ' ' ARG . 39.7 mt -97.03 -48.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 20.1 ttpt -74.3 -51.52 14.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 68' ' ' ASN . 18.2 tt0 -57.08 -64.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' GLU . 36.0 m-20 -36.56 -50.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.2 m-80 -64.46 -47.5 78.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -54.55 -52.14 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -46.49 -37.77 8.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.723 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -69.9 -69.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.458 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 19.0 m-85 -35.78 -41.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -63.56 -45.1 92.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -71.7 -52.02 13.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.723 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 62.3 m-85 -60.42 -49.5 77.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -63.75 -12.07 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 t -67.24 -29.39 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.617 HD12 ' NE2' ' A' ' 111' ' ' HIS . 7.9 pt -95.71 -29.04 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.95 -23.71 0.9 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.496 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.626 HD13 HG13 ' A' ' 108' ' ' ILE . 95.5 mt -52.44 98.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -48.5 177.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 76.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 104' ' ' TYR . 0.6 OUTLIER -56.65 -52.39 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.456 HD21 ' SD ' ' A' ' 90' ' ' MET . 15.9 tp -104.39 160.0 15.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -111.59 149.26 40.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.458 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.4 Cg_endo -69.76 -46.97 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.474 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 90.4 p -64.25 -46.31 84.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.634 ' HA ' HD12 ' A' ' 92' ' ' LEU . 5.9 m-20 -45.01 -51.35 10.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.456 ' SD ' HD21 ' A' ' 85' ' ' LEU . 3.2 mmt -49.78 -30.38 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.462 HG21 ' HB2' ' A' ' 66' ' ' LYS . 3.3 t -86.73 -43.69 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 89' ' ' ASP . 76.7 mt -47.85 -46.41 31.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 93' ' ' LEU . 1.5 pp -103.9 167.79 9.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.03 -50.37 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 35' ' ' THR . 45.7 mm -124.13 127.25 25.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.4 ' HG3' ' O ' ' A' ' 34' ' ' THR . 54.1 Cg_endo -69.75 173.29 11.18 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 98' ' ' LYS . 21.3 m-20 -91.58 95.14 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' ASP . 7.1 tmtt? -34.42 -45.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.4 mt -53.92 -49.11 69.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' ASP . 98.3 m -65.78 -55.99 14.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.6 t -46.62 -64.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -41.27 -51.28 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.9 m -47.26 -52.97 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 84' ' ' LEU . 11.4 t80 -55.83 -59.77 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.61 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 31.6 mt -44.58 -56.19 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -42.32 -35.09 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -64.16 -49.97 70.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.626 HG13 HD13 ' A' ' 81' ' ' ILE . 4.3 mp -62.48 -58.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.465 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 6.0 ttt85 -47.2 -36.27 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.33 -41.46 56.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.617 ' NE2' HD12 ' A' ' 79' ' ' ILE . 4.2 t60 -51.57 -56.09 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -77.74 -49.64 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.5 t -111.17 88.28 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 m -59.12 159.95 6.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.47 -156.11 21.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 143.27 50.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.3 t -85.12 -52.77 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.9 m -62.49 164.44 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.416 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -151.96 136.04 16.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -79.3 128.11 32.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.21 140.68 3.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -156.75 151.68 26.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -104.66 161.21 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.87 172.71 30.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.59 45.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -142.26 179.42 6.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.92 158.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 m -39.64 -35.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' SER . 22.0 tt0 -42.04 -48.05 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' GLN . 81.8 p -35.97 -56.83 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 15' ' ' LEU . 24.8 tp -58.37 -62.53 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.0 tp -37.42 -39.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' TRP . 84.5 t -73.25 -53.59 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.525 ' CH2' HG22 ' A' ' 108' ' ' ILE . 61.6 t90 -34.35 -43.74 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.481 ' O ' HG22 ' A' ' 21' ' ' VAL . 50.4 t -73.29 -64.35 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -41.16 -36.7 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.5 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.544 ' O ' ' CZ ' ' A' ' 25' ' ' TYR . 4.4 m -54.54 -19.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.605 ' CB ' HG11 ' A' ' 28' ' ' VAL . 43.1 p -110.21 24.91 12.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 13.7 mmmt -54.95 120.57 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.495 ' CG ' ' C ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER 50.59 54.98 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 2.6 m-85 -94.3 -175.47 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -81.06 84.08 6.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.44 62.53 4.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.605 HG11 ' CB ' ' A' ' 22' ' ' THR . 84.1 t -124.03 86.64 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -112.69 100.35 8.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -84.48 73.82 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.725 HG23 ' ND2' ' A' ' 32' ' ' ASN . 2.0 t -83.18 -28.94 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.725 ' ND2' HG23 ' A' ' 31' ' ' THR . 5.8 m-80 -137.53 -179.38 5.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 8.2 m-85 -120.55 24.57 10.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 18.0 p -127.78 -62.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.445 ' CG2' HD12 ' A' ' 95' ' ' ILE . 81.7 p -82.03 -50.69 8.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -43.27 -28.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.616 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 43.7 m95 -103.58 -26.83 12.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' TRP . 24.1 ttt-85 -35.92 -52.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 p30 -62.3 -55.02 32.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.93 34.13 1.56 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 62' ' ' PRO . 71.3 mt -90.32 -39.56 12.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.578 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 61.4 m -70.35 -26.92 63.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 33.1 m-85 -74.08 -46.26 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.0 m -75.61 -31.42 59.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -64.88 -44.48 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.403 HG12 HG21 ' A' ' 21' ' ' VAL . 52.6 mt -58.15 -62.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.564 HD11 HD13 ' A' ' 54' ' ' LEU . 33.1 tp -52.26 -22.38 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.1 t-80 -75.39 -45.68 37.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -44.84 -48.68 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -74.37 -49.96 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HB3' HD12 ' A' ' 54' ' ' LEU . 8.7 tpp180 -134.67 99.55 12.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.577 0.703 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.574 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.77 3.42 2.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -104.49 -36.66 7.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' A' ' 51' ' ' ARG . 10.4 mt -45.83 -40.18 9.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.684 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -121.64 -175.09 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 55' ' ' ILE . 47.1 m-20 -117.67 28.09 8.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.564 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 35.6 t80 -51.48 -18.71 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -63.3 -31.17 72.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -128.3 31.75 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.3 mt -91.19 -175.84 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.5 m120 -171.75 159.79 4.73 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.677 0.751 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.451 ' HB3' HD11 ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.75 2.95 3.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.69 -10.58 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 10.9 m-20 -113.42 112.62 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.5 mt -100.54 -45.81 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HB2' HG21 ' A' ' 91' ' ' VAL . 13.4 ttpt -75.6 -42.35 52.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' ASN . 14.0 tt0 -67.89 -67.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 67' ' ' GLU . 31.4 m-20 -34.21 -57.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 8.0 m-80 -56.1 -55.88 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -48.82 -43.33 38.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' NZ ' ' HB2' ' A' ' 56' ' ' ASP . 6.8 mtpt -49.08 -58.55 4.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -53.56 -66.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.551 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 6.4 m-85 -36.47 -38.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.63 -44.25 64.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -68.2 -45.12 72.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.461 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 54.1 m-85 -72.36 -44.76 62.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -71.17 -10.88 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.5 t -72.66 -31.43 65.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.2 pt -89.82 -38.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.19 -18.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.658 HD13 HG13 ' A' ' 108' ' ' ILE . 65.1 mt -61.1 91.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.2 p -52.45 124.34 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HA ' ' CE1' ' A' ' 104' ' ' TYR . 1.5 ppt_? -74.02 137.62 43.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mp -113.2 -52.78 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -77.53 147.46 35.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.86 142.89 25.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.3 6.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.7 t -69.87 -56.6 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.498 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -38.45 -43.02 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.42 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 9.2 mmm -53.98 -44.8 71.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 66' ' ' LYS . 60.5 t -67.27 -48.48 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 89' ' ' ASP . 37.4 mt -49.82 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.5 pp -77.86 165.07 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.57 -55.66 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.465 ' C ' HD13 ' A' ' 93' ' ' LEU . 34.3 mm -118.43 123.74 29.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.729 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.9 Cg_endo -69.72 179.99 3.29 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.48 111.45 23.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -46.36 -50.62 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.96 -45.52 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.3 m -63.39 -65.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.9 t -42.98 -60.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.8 mtp -45.01 -46.02 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.3 m -50.66 -59.59 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.487 ' CE1' ' HA ' ' A' ' 83' ' ' ARG . 17.7 t80 -51.83 -48.48 63.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.616 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.3 mt -56.47 -51.57 67.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -44.66 -33.01 1.67 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -67.32 -46.11 74.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.658 HG13 HD13 ' A' ' 81' ' ' ILE . 3.7 mp -65.41 -60.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.523 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 27.2 ttt180 -48.14 -39.39 20.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.55 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -51.1 -57.19 9.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -74.74 -59.42 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.6 m -101.99 116.61 33.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.1 m -75.95 179.47 5.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 174.83 -94.1 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 93.42 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.3 m -48.26 -57.94 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.1 t -136.16 116.52 13.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -132.04 133.26 44.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -88.08 162.57 16.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.05 172.47 22.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -55.4 150.38 11.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -73.93 -46.09 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.22 161.31 17.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 111.55 2.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -101.6 -48.98 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.91 166.69 24.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLN . 79.1 p -39.88 -42.44 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.5 tt0 -38.15 -47.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.7 m -38.49 -64.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.515 HD23 ' CE1' ' A' ' 33' ' ' PHE . 17.0 tp -48.13 -57.82 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 3.0 tp -48.08 -30.73 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 12' ' ' GLN . 88.0 t -83.86 -38.49 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.485 ' CG ' ' HG3' ' A' ' 109' ' ' ARG . 84.4 t90 -62.33 -44.86 95.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.15 -42.75 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 23.8 mtpt -68.6 -37.13 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.01 -57.07 14.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.567 HG21 HG12 ' A' ' 46' ' ' ILE . 13.8 m -59.74 -26.02 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.886 ' HB ' HG11 ' A' ' 28' ' ' VAL . 77.3 p -103.54 27.35 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -72.78 125.74 28.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 75.0 34.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 5.6 m-85 -95.08 -176.23 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -112.47 99.81 8.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.08 50.71 6.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.886 HG11 ' HB ' ' A' ' 22' ' ' THR . 92.3 t -131.23 84.05 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' THR . 19.0 ttmt -120.69 84.4 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 30' ' ' ILE . 5.2 mp -61.27 77.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' LYS . 19.4 p -79.03 -35.32 42.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -139.51 -179.19 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CE1' HD23 ' A' ' 14' ' ' LEU . 42.0 m-85 -117.03 30.23 7.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.0 p -128.31 -62.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' TRP . 68.7 p -87.05 -48.08 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -40.08 -28.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.595 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 30.5 m95 -106.96 -26.34 11.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 65' ' ' ILE . 18.9 ttp85 -34.2 -48.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -65.89 -54.27 28.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.29 -9.18 8.36 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 62' ' ' PRO . 85.8 mt -53.81 -59.52 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.595 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 14.2 m -52.86 -34.21 53.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 6.8 m-85 -65.66 -53.94 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 87.3 m -66.75 -56.41 10.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -35.01 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.567 HG12 HG21 ' A' ' 21' ' ' VAL . 70.1 mt -70.07 -57.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.563 HD23 ' CG1' ' A' ' 55' ' ' ILE . 30.3 tp -59.76 -22.18 61.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.592 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 22.0 t-80 -78.02 -32.48 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -51.76 -56.73 12.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -69.52 -46.65 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -134.85 99.62 12.49 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.592 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.7 3.36 2.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.85 -41.71 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.16 -34.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.712 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.41 -177.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.712 ' H ' HG22 ' A' ' 55' ' ' ILE . 2.5 t70 -116.69 31.69 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 14.0 t80 -54.96 -25.55 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -61.76 -18.11 58.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.0 t -135.03 26.84 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -93.26 -177.96 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.409 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 3.9 m120 -170.36 160.91 6.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.85 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.514 ' HB3' HD11 ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.82 7.63 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.317 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.459 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 2.1 pp0? -84.97 -21.02 29.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.459 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 19.3 m-20 -103.03 114.67 29.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 38' ' ' ARG . 49.6 mt -99.36 -49.94 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.495 ' HB2' HG21 ' A' ' 91' ' ' VAL . 12.4 ttpt -71.52 -51.54 23.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' ASN . 22.5 tt0 -56.44 -63.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 39.8 m-20 -36.4 -58.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.65 -53.28 59.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -48.75 -43.82 38.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -52.56 -51.12 61.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.698 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -56.65 -70.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.526 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 17.7 m-85 -34.6 -47.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.62 -46.18 77.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.99 -55.44 4.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.698 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 20.5 m-85 -49.09 -50.67 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.9 -24.12 65.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 t -54.4 -43.37 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.937 HD12 ' NE2' ' A' ' 111' ' ' HIS . 14.2 pt -76.04 -33.95 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.07 31.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.484 ' CD1' HD11 ' A' ' 79' ' ' ILE . 49.0 mt -101.43 103.11 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -51.92 121.01 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -78.24 116.16 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mp -95.66 -50.04 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD22 HG22 ' A' ' 101' ' ' VAL . 15.1 tp -90.9 147.5 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -106.54 151.33 40.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.729 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.526 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 54.1 Cg_endo -69.71 -47.71 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 t -56.81 -53.32 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.612 ' HA ' HD12 ' A' ' 92' ' ' LEU . 7.1 m-20 -39.0 -50.29 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mmt -47.84 -40.95 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 66' ' ' LYS . 21.2 t -75.48 -48.23 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 89' ' ' ASP . 77.0 mt -44.26 -67.04 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 95' ' ' ILE . 3.8 pp -86.07 166.97 15.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.49 -72.73 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.438 ' O ' HD13 ' A' ' 93' ' ' LEU . 16.8 mm -109.86 129.1 24.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 179.93 3.33 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.71 105.17 17.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -41.59 -41.08 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.22 -45.39 93.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.7 m -65.56 -55.64 16.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.437 HG22 HD22 ' A' ' 85' ' ' LEU . 97.2 t -52.7 -64.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 mtp -38.31 -51.04 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -46.32 -58.31 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -52.68 -53.81 42.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.507 HD13 ' HE1' ' A' ' 33' ' ' PHE . 17.5 mt -47.21 -56.18 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -40.66 -35.23 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -64.88 -57.01 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.546 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.2 mp -51.76 -58.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.485 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 7.0 ttt85 -48.44 -41.81 30.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.93 -45.16 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.937 ' NE2' HD12 ' A' ' 79' ' ' ILE . 6.9 t60 -50.44 -59.6 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -70.28 -48.39 56.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -106.95 106.46 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.0 p -63.33 146.32 53.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.57 -164.29 14.76 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.46 3.36 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.5 p -76.07 133.26 40.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 119' ' ' GLY . 58.1 p -67.75 81.38 0.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 118' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p 36.86 42.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 m -101.34 133.47 45.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.88 120.86 6.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m -96.94 46.2 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -132.59 148.05 52.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.1 79.32 1.45 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' ALA . 53.3 Cg_endo -69.82 -10.16 27.82 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.335 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -50.89 87.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -172.78 143.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 p -84.71 21.56 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.692 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.7 tt0 -119.39 -39.4 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -49.36 -44.45 44.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD23 ' CZ ' ' A' ' 33' ' ' PHE . 28.3 tp -57.63 -69.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 tp -39.78 -26.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 12' ' ' GLN . 22.6 t -88.79 -38.37 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.75 ' O ' HG13 ' A' ' 21' ' ' VAL . 74.1 t90 -56.58 -40.12 74.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -76.81 -54.52 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -57.55 -22.72 46.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.06 -56.72 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 17' ' ' TRP . 3.3 m -61.81 -23.12 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.67 ' CB ' HG11 ' A' ' 28' ' ' VAL . 48.3 p -102.08 21.11 15.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -59.51 117.18 4.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 66.87 53.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 22' ' ' THR . 7.3 m-85 -113.25 -179.9 3.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' GLY . 16.9 tpp180 -71.32 107.08 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . 36.43 73.12 0.12 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.436 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.67 HG11 ' CB ' ' A' ' 22' ' ' THR . 31.3 t -123.97 93.33 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -122.32 101.26 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 30' ' ' ILE . 4.9 mp -87.56 68.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' HG22 ' A' ' 31' ' ' THR . 92.7 m -79.93 -14.39 58.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -151.59 177.02 10.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 19.8 m-85 -116.64 34.4 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.5 p -131.64 -72.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.619 ' CG2' HD12 ' A' ' 95' ' ' ILE . 70.4 p -74.96 -53.39 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -39.73 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.934 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 43.5 m95 -107.36 -26.32 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' THR . 11.9 ttp85 -37.03 -55.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.495 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 4.1 p-10 -56.64 -58.56 7.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.52 1.03 7.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 62' ' ' PRO . 55.2 mt -54.94 -66.69 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.517 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 4.9 m -45.33 -51.75 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -46.23 -47.91 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.32 -58.33 3.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.789 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -40.54 -46.69 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -56.06 -54.3 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.558 HD23 ' CG1' ' A' ' 55' ' ' ILE . 30.6 tp -65.36 -23.83 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 57' ' ' TYR . 63.2 t-80 -80.29 -20.57 44.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 46.1 t60 -64.06 -46.88 82.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -82.99 -43.5 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HB3' HD12 ' A' ' 54' ' ' LEU . 6.5 tpt180 -132.43 92.93 26.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.575 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.78 -6.99 19.94 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -96.8 -16.77 20.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 51' ' ' ARG . 12.2 mt -68.28 -38.21 81.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.711 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -120.64 -177.31 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.711 ' H ' HG22 ' A' ' 55' ' ' ILE . 46.0 m-20 -114.57 27.36 9.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.789 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 22.7 t80 -53.73 -18.72 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -63.51 -25.03 68.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -134.31 31.3 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.6 mt -91.89 -174.77 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.4 m120 -172.07 159.8 4.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.513 ' HB3' HD11 ' A' ' 41' ' ' LEU . 54.4 Cg_endo -69.72 3.4 2.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HG3' ' CB ' ' A' ' 61' ' ' ASN . 1.9 pp0? -80.01 -13.85 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -109.39 114.44 28.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 mt -97.2 -47.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -79.05 -48.62 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.24 -58.47 8.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -42.86 -48.53 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 4.2 m-80 -65.11 -58.2 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -44.89 -45.33 10.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -49.38 -56.47 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.33 -63.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 22.8 m-85 -38.13 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ALA . 26.5 t0 -78.78 -44.36 23.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.514 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -73.75 -43.59 34.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.451 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 21.4 m-85 -65.72 -48.37 72.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.04 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 m -58.07 -45.95 86.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.573 HD12 ' NE2' ' A' ' 111' ' ' HIS . 16.0 pt -72.33 -35.0 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.68 34.62 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.545 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.556 HD13 HG13 ' A' ' 108' ' ' ILE . 29.0 mt -105.2 102.02 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 111.115 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -54.96 126.79 25.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 11.0 mtm105 -78.29 126.81 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 36.4 mt -108.52 -35.53 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -103.91 154.95 19.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -110.33 148.52 38.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.494 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.5 Cg_endo -69.78 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.262 . . . . 0.0 112.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 91' ' ' VAL . 12.5 t -57.95 -54.64 44.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.609 ' HA ' HD12 ' A' ' 92' ' ' LEU . 10.2 t0 -35.38 -43.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -54.76 -45.63 74.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 88' ' ' SER . 23.6 t -69.91 -47.41 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 89' ' ' ASP . 44.7 mt -46.47 -55.87 6.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.3 pp -90.98 176.78 6.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.64 -66.45 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.619 HD12 ' CG2' ' A' ' 35' ' ' THR . 33.2 mm -117.61 132.25 23.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 95' ' ' ILE . 53.3 Cg_endo -69.78 178.07 4.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.622 2.214 . . . . 0.0 112.332 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.1 m-20 -93.51 101.53 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 97' ' ' ASP . 31.7 tttt -34.3 -51.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.49 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 103' ' ' THR . 21.7 m -41.42 -66.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' THR . 89.2 t -35.63 -55.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.4 mtp -60.22 -37.15 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 100' ' ' THR . 33.3 m -58.62 -47.03 85.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.661 ' O ' HD12 ' A' ' 108' ' ' ILE . 26.0 t80 -65.87 -42.26 90.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.934 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 11.3 mt -57.01 -54.31 48.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -44.03 -38.38 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -60.1 -51.13 70.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 104' ' ' TYR . 5.0 mp -59.31 -56.69 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 25.7 ttt-85 -50.07 -39.15 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.59 -41.7 75.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.573 ' NE2' HD12 ' A' ' 79' ' ' ILE . 12.7 t60 -52.99 -50.84 63.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -78.39 -53.16 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.6 m -95.15 126.06 40.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.5 p -84.63 161.46 20.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -175.3 -93.92 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -6.69 19.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.236 . . . . 0.0 112.381 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.6 p -39.17 156.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.6 m -40.29 138.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.457 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -175.02 113.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.906 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t 59.16 43.74 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.73 -150.34 11.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -138.05 142.69 40.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -88.09 130.34 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.23 145.73 1.01 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.91 3.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.337 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -76.27 56.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 11' ' ' SER . . . -174.56 118.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ALA . 7.9 t -34.49 -47.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.725 ' O ' HG23 ' A' ' 16' ' ' VAL . 26.4 tp60 -46.01 -51.63 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.6 p -40.12 -48.59 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.42 -63.49 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 tp -37.21 -35.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 12' ' ' GLN . 70.7 t -73.08 -54.45 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.589 ' CZ3' HG21 ' A' ' 46' ' ' ILE . 23.4 t90 -35.17 -52.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.49 ' SG ' HD11 ' A' ' 46' ' ' ILE . 7.0 t -64.82 -63.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -48.95 -21.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.82 -62.37 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.564 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.1 m -64.42 -19.99 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.59 ' HB ' HG11 ' A' ' 28' ' ' VAL . 80.7 p -105.84 26.92 9.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -68.88 -46.33 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.475 ' ND2' ' H ' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -94.62 45.54 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 11.5 m-85 -117.49 177.49 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -119.73 119.05 32.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.24 37.16 22.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.59 HG11 ' HB ' ' A' ' 22' ' ' THR . 8.2 t -131.11 114.54 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.387 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' HD12 ' A' ' 30' ' ' ILE . 19.1 mtpp -132.67 -34.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.3 mp 60.64 50.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.527 HG23 ' ND2' ' A' ' 32' ' ' ASN . 5.1 t -69.67 -26.25 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.527 ' ND2' HG23 ' A' ' 31' ' ' THR . 4.4 m-20 -143.07 167.35 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 40.5 m-85 -112.11 36.02 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.9 p -130.66 -70.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.451 ' CG2' HD12 ' A' ' 95' ' ' ILE . 67.8 p -82.68 -43.43 16.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.204 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 t -45.24 -28.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.787 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 43.1 m95 -104.72 -27.05 12.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' TRP . 19.3 ttp85 -34.95 -50.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.465 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -63.5 -53.41 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 112.18 41.52 1.06 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -96.5 -52.08 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.36 . . . . 0.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.544 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 29.6 m -59.74 -33.08 71.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.43 -44.5 90.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.21 -34.83 49.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HB1' HG22 ' A' ' 22' ' ' THR . . . -55.29 -45.15 76.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.589 HG21 ' CZ3' ' A' ' 17' ' ' TRP . 51.1 mt -62.42 -66.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.564 HD23 ' CG1' ' A' ' 55' ' ' ILE . 20.3 tp -47.31 -31.73 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 56.9 t-80 -69.65 -41.09 76.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.564 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 17.1 t60 -47.59 -51.35 21.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -75.8 -46.81 28.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HB3' HD12 ' A' ' 54' ' ' LEU . 13.7 tpt180 -140.33 105.0 6.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.564 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -44.13 2.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.3 -38.72 63.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 51' ' ' ARG . 10.9 mt -48.67 -37.64 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.66 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.69 178.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.66 ' H ' HG22 ' A' ' 55' ' ' ILE . 1.8 m-20 -115.68 25.1 11.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.443 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 9.0 t80 -48.02 -26.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -35.05 70.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.2 p -123.21 33.05 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 10.0 mt -93.96 -175.08 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.2 m120 -173.87 160.07 3.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.483 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.46 -21.04 45.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.483 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 17.6 m-20 -102.0 114.98 29.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.408 ' CG2' HG22 ' A' ' 91' ' ' VAL . 88.1 mt -101.95 -44.03 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 88' ' ' SER . 20.4 ttpt -79.66 -44.57 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 68' ' ' ASN . 26.0 tt0 -64.52 -65.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLU . 15.9 m-20 -34.2 -58.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 4.1 m-80 -56.12 -49.09 74.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -54.22 -49.19 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -44.06 -47.3 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.76 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -61.47 -71.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 15.3 m-85 -32.73 -53.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -49.09 -46.21 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -78.56 -53.52 4.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.76 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 15.5 m-85 -49.12 -51.47 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.838 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.45 71.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t -44.7 -48.14 10.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.691 HD11 ' CD1' ' A' ' 81' ' ' ILE . 17.8 pt -73.06 -38.57 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.3 32.71 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.432 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.691 ' CD1' HD11 ' A' ' 79' ' ' ILE . 68.5 mt -102.03 101.65 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.7 m -51.28 125.18 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' CD ' ' HB3' ' A' ' 73' ' ' TYR . 28.1 mtm180 -84.36 114.78 22.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 104' ' ' TYR . 35.6 mt -91.97 -46.92 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.58 HD22 HG22 ' A' ' 101' ' ' VAL . 12.4 tp -88.31 149.09 23.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -108.03 147.64 35.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.727 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.529 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.6 Cg_endo -69.79 -50.76 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.467 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . 90.8 p -59.37 -50.28 74.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.626 ' HA ' HD12 ' A' ' 92' ' ' LEU . 10.7 t0 -42.62 -47.17 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -49.26 -48.75 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.408 HG22 ' CG2' ' A' ' 65' ' ' ILE . 48.4 t -66.8 -47.44 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 89' ' ' ASP . 39.9 mt -49.4 -60.16 3.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.434 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.4 pp -84.54 159.43 20.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.63 -59.84 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.451 HD12 ' CG2' ' A' ' 35' ' ' THR . 39.9 mm -119.48 123.93 28.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 176.92 6.14 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.2 m-20 -91.38 101.08 13.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' ASP . 4.4 ttpm? -36.72 -48.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.9 mt -54.58 -56.07 22.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.5 m -51.7 -60.9 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.58 HG22 HD22 ' A' ' 85' ' ' LEU . 98.8 t -49.83 -59.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.9 mtp -47.23 -45.16 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.1 m -55.44 -57.44 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.64 ' HA ' HD12 ' A' ' 84' ' ' LEU . 32.5 t80 -51.64 -59.05 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.787 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 13.0 mt -39.86 -58.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 105' ' ' LEU . 16.4 m-85 -37.07 -43.52 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.504 ' O ' ' CD2' ' A' ' 111' ' ' HIS . 18.4 mm100 -52.05 -58.67 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.626 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.8 mp -52.63 -55.03 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 5.6 ttt-85 -54.86 -33.67 62.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.04 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.557 ' CD2' HG12 ' A' ' 81' ' ' ILE . 44.4 m-70 -62.25 -51.26 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -63.27 -54.08 42.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.4 p -116.27 142.55 46.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.1 m -101.45 128.55 47.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.43 -95.96 1.29 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 124.76 11.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.344 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.6 m -53.68 -54.27 40.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.7 t -64.04 -53.1 55.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p 42.89 42.35 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p -83.36 -46.33 12.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.84 150.93 8.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 p -120.96 166.98 13.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.921 0.391 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -153.45 114.59 4.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.32 162.02 18.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 166.1 28.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.304 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -168.04 176.25 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.78 177.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' GLN . 11.2 t -43.37 -53.12 5.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.789 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.825 ' O ' HG23 ' A' ' 16' ' ' VAL . 23.0 tp60 -34.36 -46.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -47.02 -56.06 7.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.5 -62.04 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 tp -39.49 -41.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 12' ' ' GLN . 59.8 t -67.11 -53.38 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 47.4 t90 -34.65 -52.85 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t -65.15 -63.89 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -43.28 -25.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -73.13 -61.1 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.57 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.8 m -66.48 -18.99 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.571 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 72.8 p -106.34 28.5 7.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -74.95 -43.37 54.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.462 ' ND2' ' H ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -92.39 36.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 17.8 m-85 -112.37 179.55 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -124.22 116.13 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.15 38.35 13.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.744 HG12 HD11 ' A' ' 30' ' ' ILE . 10.1 t -133.03 96.98 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.957 0.408 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.435 ' C ' HD12 ' A' ' 30' ' ' ILE . 33.6 ttpt -117.7 -20.66 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.744 HD11 HG12 ' A' ' 28' ' ' VAL . 4.0 mp 50.31 53.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.58 HG23 ' ND2' ' A' ' 32' ' ' ASN . 5.2 t -63.5 -26.84 68.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.58 ' ND2' HG23 ' A' ' 31' ' ' THR . 10.9 m-80 -148.71 177.52 9.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 55.5 m-85 -114.99 34.52 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 p -127.84 -72.08 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' ARG . 76.3 p -78.83 -53.32 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' THR . 13.6 t -36.42 -34.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.604 ' CH2' HD21 ' A' ' 105' ' ' LEU . 40.1 m95 -99.01 -29.28 12.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 65' ' ' ILE . 23.4 ttt-85 -35.52 -44.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 p30 -70.42 -47.24 61.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.474 ' HA3' ' ND2' ' A' ' 69' ' ' ASN . . . 106.97 42.99 1.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' HB3' ' A' ' 62' ' ' PRO . 67.9 mt -96.87 -56.95 2.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.579 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 20.4 m -59.62 -32.54 70.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 6.2 m-85 -65.3 -44.75 86.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.4 m -77.81 -34.1 52.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.542 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -58.47 -53.25 60.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.449 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 50.4 mt -49.59 -61.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.543 HD23 ' CG1' ' A' ' 55' ' ' ILE . 31.3 tp -53.02 -32.38 46.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 60.1 t-80 -69.66 -39.0 77.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 32.0 t60 -47.08 -41.31 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -82.37 -43.88 16.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.642 ' HB3' HD12 ' A' ' 54' ' ' LEU . 10.1 tpt180 -136.19 104.85 9.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.692 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.539 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.8 -3.28 11.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -101.16 -39.72 7.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 51' ' ' ARG . 11.6 mt -41.86 -40.79 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.543 ' CG1' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -122.51 171.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.534 ' H ' HG22 ' A' ' 55' ' ' ILE . 4.8 t0 -104.29 23.68 12.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 11.3 t80 -49.58 -22.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -58.32 -32.53 68.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -129.27 35.41 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 10.5 mt -93.97 -176.43 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 5.1 m120 -171.29 160.02 5.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HB3' HD11 ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.72 3.93 2.47 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.59 -19.16 50.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 20.9 m-20 -104.59 114.7 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 38' ' ' ARG . 83.4 mt -98.99 -39.81 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -85.22 -50.45 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' HG2' ' CE ' ' A' ' 71' ' ' LYS . 15.3 tt0 -57.61 -57.87 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -45.84 -54.61 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.4 m-80 -59.02 -47.91 83.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.435 ' N ' ' HB3' ' A' ' 87' ' ' PRO . 35.0 tttm -48.92 -46.09 42.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' CE ' ' HG2' ' A' ' 67' ' ' GLU . 11.2 mttm -49.76 -62.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -44.47 -73.21 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' ALA . 17.1 m-85 -35.6 -44.56 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -62.86 -44.68 95.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -74.05 -57.07 4.97 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CE1' HG21 ' A' ' 108' ' ' ILE . 38.7 m-85 -52.55 -42.97 64.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.28 69.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -45.74 -49.25 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.771 HD11 ' CD1' ' A' ' 81' ' ' ILE . 19.2 pt -70.03 -38.56 75.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.29 33.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.771 ' CD1' HD11 ' A' ' 79' ' ' ILE . 74.0 mt -103.27 99.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -47.89 132.96 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -84.56 110.08 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.478 HD13 ' HD1' ' A' ' 104' ' ' TYR . 7.5 mp -87.88 -44.24 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.4 tp -96.81 154.35 17.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -112.02 150.9 43.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HB3' ' N ' ' A' ' 70' ' ' LYS . 53.5 Cg_endo -69.73 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.3 p -64.35 -33.74 76.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.835 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -53.41 -38.67 63.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.53 -36.98 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.0 t -72.22 -51.22 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.835 HD12 ' HA ' ' A' ' 89' ' ' ASP . 17.4 mt -41.83 -55.51 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.475 HD13 ' C ' ' A' ' 95' ' ' ILE . 4.3 pp -95.72 173.8 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.472 ' O ' ' CD ' ' A' ' 38' ' ' ARG . . . -90.75 -53.02 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.475 ' C ' HD13 ' A' ' 93' ' ' LEU . 15.9 mm -120.54 124.45 27.62 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.24 2.76 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -97.86 96.78 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' ASP . 5.1 ttpm? -34.38 -56.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -40.26 -60.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.9 m -56.94 -60.79 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.6 t -42.61 -61.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.8 mtp -50.78 -43.4 58.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 61.7 m -55.06 -47.02 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.478 ' HD1' HD13 ' A' ' 84' ' ' LEU . 17.2 t80 -60.65 -51.88 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.604 HD21 ' CH2' ' A' ' 37' ' ' TRP . 9.1 mt -45.23 -60.51 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.419 ' O ' ' CB ' ' A' ' 110' ' ' ALA . 24.8 m-85 -37.05 -41.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -55.98 -53.51 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -63.15 -58.04 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -55.23 -33.6 63.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 106' ' ' TYR . . . -72.76 -41.1 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.69 ' CE1' HD12 ' A' ' 79' ' ' ILE . 8.6 t60 -57.26 -53.17 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -70.27 -49.44 49.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 t -114.42 111.6 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.7 m -69.06 174.66 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.49 -91.28 2.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 103.39 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.1 m -83.34 85.25 7.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.1 t 59.2 42.18 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.449 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -77.09 155.94 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 110.893 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 m -134.81 108.28 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.0 138.19 6.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -107.7 112.64 25.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -91.04 -52.79 4.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.18 158.19 9.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 101.73 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.461 ' ND2' ' HG2' ' A' ' 12' ' ' GLN . 4.5 t30 -81.36 -174.95 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' H ' ' ND2' ' A' ' 9' ' ' ASN . . . -89.36 -62.08 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' SER . 91.7 p -98.68 -74.94 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.782 ' O ' HG23 ' A' ' 16' ' ' VAL . 16.3 pt20 -38.68 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.444 ' HB2' ' N ' ' A' ' 9' ' ' ASN . 12.7 t -47.27 -50.17 22.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.52 -59.32 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -50.93 -27.31 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 12' ' ' GLN . 90.4 t -87.02 -38.43 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.522 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 90.0 t90 -60.27 -45.44 93.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' HG21 ' A' ' 30' ' ' ILE . 2.7 p -69.48 -42.96 74.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -67.99 -21.24 65.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -73.04 -55.65 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.566 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 m -67.78 -24.02 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.825 ' HB ' HG11 ' A' ' 28' ' ' VAL . 80.9 p -102.51 31.48 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -78.13 -38.26 44.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -102.99 38.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.578 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 11.4 m-85 -109.24 178.94 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -121.44 113.96 20.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.36 47.19 7.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.531 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.825 HG11 ' HB ' ' A' ' 22' ' ' THR . 58.7 t -131.0 91.67 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -120.75 87.53 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 30' ' ' ILE . 5.3 mp -71.84 82.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.421 HG23 ' CG ' ' A' ' 32' ' ' ASN . 11.3 t -90.74 -27.45 18.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' CG ' HG23 ' A' ' 31' ' ' THR . 12.2 m-20 -141.11 177.81 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 32.4 m-85 -117.97 32.55 6.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.7 -72.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' ARG . 73.9 p -77.53 -50.21 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 m -38.23 -34.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.673 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 25.4 m95 -100.96 -26.61 13.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' TRP . 32.5 ttt-85 -35.63 -48.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.479 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 p30 -65.95 -53.78 34.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.49 36.8 1.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 mt -87.7 -60.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.48 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 67.7 m -52.81 -37.89 60.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -57.75 -45.38 85.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.7 m -75.96 -41.88 50.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.702 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -57.19 -59.62 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.421 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 86.2 mt -42.49 -54.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.6 HD23 ' CG1' ' A' ' 55' ' ' ILE . 32.9 tp -59.01 -37.11 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 23.5 t-80 -66.34 -30.84 71.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.566 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 61.9 t60 -56.02 -45.38 79.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -72.97 -51.2 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 2.3 mmp_? -139.0 105.1 7.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.511 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 1.93 4.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -107.99 36.74 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.9 mt -126.92 -41.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.6 ' CG1' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -117.95 171.05 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' H ' HG22 ' A' ' 55' ' ' ILE . 73.2 m-20 -106.61 25.33 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.702 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 10.7 t80 -50.61 -23.92 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -57.23 -28.8 63.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -131.25 35.79 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 60' ' ' LEU . 12.1 mt -98.19 -178.33 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 4.8 m120 -167.72 160.27 9.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 4.19 2.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.55 -20.47 46.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 20.6 m-20 -102.27 115.04 29.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -101.0 -46.85 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -75.39 -45.08 41.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 68' ' ' ASN . 21.7 tt0 -64.87 -65.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' GLU . 31.1 m-20 -35.46 -58.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 5.1 m-80 -57.1 -51.59 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -49.77 -45.6 49.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -48.44 -60.96 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.719 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -48.64 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.447 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 16.7 m-85 -34.29 -46.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -57.73 -46.41 84.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -76.0 -56.35 4.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.719 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 17.9 m-85 -48.98 -43.58 40.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HB2' ' HD2' ' A' ' 83' ' ' ARG . . . -70.35 -30.66 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -45.48 -49.09 13.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.442 HD11 ' CD1' ' A' ' 81' ' ' ILE . 24.3 pt -71.23 -41.04 74.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.441 ' N ' HG13 ' A' ' 79' ' ' ILE . . . 144.8 35.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 79' ' ' ILE . 30.2 mt -103.55 100.63 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 111.123 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.0 p -46.53 151.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 2.5 mpp_? -97.21 103.17 15.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.504 HD13 ' HD1' ' A' ' 104' ' ' TYR . 6.8 mp -85.32 -44.89 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 tp -102.1 151.2 22.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -109.28 150.43 41.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.673 0.749 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.76 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.0 p -56.11 -47.44 78.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.507 ' HA ' HD12 ' A' ' 92' ' ' LEU . 79.4 m-20 -42.33 -53.22 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.6 mmt -48.89 -41.67 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -70.68 -47.55 63.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 89' ' ' ASP . 56.8 mt -49.56 -59.34 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.3 pp -88.69 168.16 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.28 -62.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.455 ' O ' HD13 ' A' ' 93' ' ' LEU . 15.1 mm -116.34 127.71 26.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 176.7 6.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 98' ' ' LYS . 8.8 m-20 -89.68 101.59 14.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASP . 37.8 tttt -38.16 -53.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.0 -45.73 68.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.7 m -59.07 -59.87 4.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.7 t -50.07 -63.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.3 mtp -41.12 -47.33 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 96.5 m -54.96 -47.62 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.504 ' HD1' HD13 ' A' ' 84' ' ' LEU . 21.6 t80 -63.24 -49.48 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.673 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 10.2 mt -52.11 -60.66 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 105' ' ' LEU . 10.7 m-85 -34.73 -45.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -52.35 -55.33 22.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.756 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.8 mp -59.49 -56.46 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.522 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -54.19 -34.36 60.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.91 -40.69 53.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -58.8 -55.12 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -62.36 -48.45 79.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 t -137.4 138.28 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.3 t -123.35 45.44 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.51 -153.86 24.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 141.7 46.0 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.238 . . . . 0.0 112.372 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.4 t -67.74 108.53 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -111.11 140.2 45.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -103.37 104.36 14.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.8 m -88.37 -58.7 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.1 42.7 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -114.27 82.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 m -109.61 143.78 38.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.46 168.22 32.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 165.39 31.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 m120 62.6 42.9 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.34 124.11 15.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.5 p -53.32 -48.85 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 16' ' ' VAL . 9.3 tm0? -56.31 -53.07 61.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -53.18 -48.49 68.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 105' ' ' LEU . 23.6 tp -62.18 -59.47 5.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 33' ' ' PHE . 8.0 tp -49.41 -41.12 38.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 12' ' ' GLN . 48.0 t -70.32 -46.85 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 53.9 t90 -40.01 -52.07 2.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 20' ' ' GLU . 41.8 t -64.25 -64.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -43.11 -24.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 18' ' ' CYS . 3.5 tt0 -73.14 -50.31 23.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.561 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 1.6 m -79.46 -12.25 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.832 ' HB ' HG11 ' A' ' 28' ' ' VAL . 68.9 p -122.22 22.95 10.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -47.46 -63.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.79 68.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 6.7 m-85 -115.68 166.55 11.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' GLY . 5.1 tpm_? -55.63 104.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . 36.81 82.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.832 HG11 ' HB ' ' A' ' 22' ' ' THR . 95.6 t -135.02 86.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 111.117 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -109.35 101.53 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 30' ' ' ILE . 5.2 mp -85.21 69.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.434 HG23 ' ND2' ' A' ' 32' ' ' ASN . 8.5 t -78.73 -26.0 44.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.434 ' ND2' HG23 ' A' ' 31' ' ' THR . 2.8 m-20 -144.28 -179.37 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' HE1' HD13 ' A' ' 105' ' ' LEU . 34.7 m-85 -114.36 29.69 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 p -131.71 -72.1 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.426 HG22 HH21 ' A' ' 38' ' ' ARG . 63.7 p -71.54 -41.61 68.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.37 -24.44 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.627 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 25.2 m95 -111.97 -23.62 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.426 HH21 HG22 ' A' ' 35' ' ' THR . 13.6 ttm180 -35.74 -47.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.489 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -68.09 -56.97 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.25 32.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.67 -67.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 46.1 m -47.89 -39.91 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CE1' ' CE2' ' A' ' 104' ' ' TYR . 10.7 m-85 -55.35 -44.9 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 m -76.99 -47.14 21.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.739 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -54.77 -55.41 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.3 mt -44.87 -56.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.506 HD23 ' CG1' ' A' ' 55' ' ' ILE . 36.5 tp -56.59 -31.67 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 52' ' ' PRO . 15.5 t-80 -69.36 -41.02 77.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.527 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 25.5 t60 -47.77 -41.36 23.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 34.4 m-85 -76.49 -51.84 10.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.718 ' HB2' HD12 ' A' ' 54' ' ' LEU . 4.3 mmt180 -133.14 103.35 12.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.531 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.76 3.07 2.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.82 32.44 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' A' ' 51' ' ' ARG . 15.6 mt -116.37 -39.7 3.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -118.32 175.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.628 ' H ' HG22 ' A' ' 55' ' ' ILE . 34.9 t70 -107.55 23.78 13.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.739 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 13.0 t80 -49.55 -28.31 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -54.08 -29.64 45.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.4 t -128.92 36.33 4.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 12.8 mt -100.48 177.17 5.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.415 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 4.2 m120 -161.93 160.69 22.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 4.9 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.48 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.7 pp0? -80.38 -20.3 44.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.48 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 17.3 m-20 -100.57 115.36 29.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.7 mt -98.74 -52.55 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.643 ' HB2' HG21 ' A' ' 91' ' ' VAL . 15.8 ttmt -74.21 -46.49 41.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.61 -65.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -39.22 -45.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.0 m-80 -66.02 -51.21 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -50.91 -52.89 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -41.96 -58.67 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.771 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -50.31 -68.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.458 ' CE2' ' HD3' ' A' ' 87' ' ' PRO . 17.9 m-85 -33.39 -54.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -48.53 -44.33 36.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.11 -53.17 4.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.771 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 22.3 m-85 -49.82 -51.49 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.638 ' HB2' ' HD2' ' A' ' 83' ' ' ARG . . . -65.99 -35.13 79.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -44.67 -50.62 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.679 HD12 ' CD2' ' A' ' 111' ' ' HIS . 16.0 pt -68.95 -39.8 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' N ' HG13 ' A' ' 79' ' ' ILE . . . 146.01 32.96 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.639 ' CD1' HD11 ' A' ' 79' ' ' ILE . 63.6 mt -106.84 98.0 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.3 m -42.58 157.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.638 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -96.9 92.3 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 84' ' ' LEU . 7.6 mp -80.27 -43.97 20.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.3 tp -98.38 152.48 19.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.424 ' HB2' ' CG ' ' A' ' 89' ' ' ASP . 60.2 mm-40 -110.89 146.18 33.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.458 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.6 Cg_endo -69.79 -50.51 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 91' ' ' VAL . 85.2 p -58.01 -52.21 66.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.624 ' HA ' HD12 ' A' ' 92' ' ' LEU . 2.2 m-20 -37.03 -45.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.0 mmt -56.81 -42.24 79.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 66' ' ' LYS . 64.3 t -74.37 -51.74 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 89' ' ' ASP . 52.3 mt -40.11 -64.83 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.532 ' C ' HD12 ' A' ' 93' ' ' LEU . 1.8 pp -93.31 176.8 6.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.33 -61.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.417 ' O ' HD13 ' A' ' 93' ' ' LEU . 18.5 mm -99.44 126.35 37.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.733 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -176.44 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.31 94.76 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -42.09 -59.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.6 mt -47.2 -51.48 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.9 m -58.92 -55.74 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.0 t -49.68 -61.15 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.3 mtp -45.08 -48.07 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.2 m -59.05 -40.3 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.588 ' O ' HD12 ' A' ' 108' ' ' ILE . 24.0 t80 -65.93 -49.88 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.627 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 22.4 mt -50.04 -58.67 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -38.04 -42.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -57.4 -52.52 65.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.592 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.2 mp -61.77 -57.67 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.03 -40.27 63.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.84 79.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.679 ' CD2' HD12 ' A' ' 79' ' ' ILE . 52.9 t60 -52.0 -55.51 20.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.626 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 81.4 m-85 -67.92 -43.91 78.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.5 p -69.86 167.65 16.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.2 p -107.1 -31.3 8.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.79 -149.02 22.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.44 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.8 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.9 p -69.77 126.0 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.3 t 60.61 41.8 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -119.23 172.07 7.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -72.01 -30.97 65.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.91 154.63 24.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -75.21 141.51 43.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 p -153.76 139.74 18.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.58 162.3 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 133.32 25.27 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -138.27 178.4 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' SER . . . -45.86 165.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' GLN . 2.8 m -37.49 -43.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 16' ' ' VAL . 22.2 tt0 -34.51 -52.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -46.34 -58.63 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.5 tp -54.57 -57.33 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 tp -45.98 -35.37 4.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 12' ' ' GLN . 55.5 t -77.78 -45.91 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.579 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 81.3 t90 -37.72 -51.52 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 t -67.89 -45.24 75.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.61 -21.17 37.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -83.12 -63.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' ' 46' ' ' ILE . 3.1 m -54.6 -29.61 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.777 ' CB ' HG11 ' A' ' 28' ' ' VAL . 59.0 p -90.82 27.99 1.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -70.61 125.69 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 67.45 44.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.559 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 8.5 m-85 -104.0 140.87 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -39.65 -74.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.65 95.7 0.42 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.777 HG11 ' CB ' ' A' ' 22' ' ' THR . 89.4 t -144.21 105.05 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -134.82 94.52 3.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 30' ' ' ILE . 4.3 mp -82.8 75.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -83.35 -22.03 32.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -148.99 -179.96 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 49.1 m-85 -121.1 31.17 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -127.35 -68.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.441 ' CG2' ' CD1' ' A' ' 95' ' ' ILE . 69.8 p -87.07 -30.65 20.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -55.16 -31.48 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.803 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 16.3 m95 -105.13 -17.08 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -41.93 -51.56 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 1.3 p30 -62.4 -56.16 20.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.75 29.38 2.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.25 -63.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.4 m -48.09 -41.75 27.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 22.4 m-85 -54.9 -46.79 74.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.2 m -75.08 -35.98 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.71 76.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.557 HG23 HG21 ' A' ' 21' ' ' VAL . 35.9 mt -55.24 -61.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.49 HD23 ' CG1' ' A' ' 55' ' ' ILE . 32.6 tp -51.45 -39.95 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.477 ' CE1' ' CB ' ' A' ' 52' ' ' PRO . 29.9 t-80 -62.94 -34.13 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.493 ' CD2' ' HA ' ' A' ' 21' ' ' VAL . 25.3 t60 -54.04 -52.8 59.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.539 ' HE2' HG22 ' A' ' 46' ' ' ILE . 44.2 m-85 -64.58 -46.7 81.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HB3' HD12 ' A' ' 54' ' ' LEU . 10.3 tpp180 -143.66 105.0 4.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.477 ' CB ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.73 -0.19 6.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -108.3 28.77 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 51' ' ' ARG . 15.0 mt -114.89 -38.66 3.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.626 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -120.37 175.42 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.626 ' H ' HG22 ' A' ' 55' ' ' ILE . 66.7 m-20 -107.34 24.15 13.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.439 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 11.2 t80 -50.15 -23.14 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -57.67 -31.25 66.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -129.29 34.39 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 11.3 mt -94.74 176.08 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.411 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 3.7 m120 -161.46 161.36 22.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.721 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 3.95 2.49 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.522 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.7 pp0? -79.64 -22.83 43.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.522 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 16.3 m-20 -99.22 115.45 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.4 mt -103.02 -49.49 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HB2' HG21 ' A' ' 91' ' ' VAL . 3.9 ttmp? -72.35 -42.44 65.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.3 tp10 -66.3 -64.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' GLU . 17.0 m-20 -34.55 -44.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.433 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 4.7 m-80 -70.76 -44.26 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' GLU . 17.1 tptm -53.62 -54.95 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 68' ' ' ASN . 13.0 mtmm -44.96 -59.56 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.771 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -46.24 -72.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 72' ' ' ALA . 16.0 m-85 -34.02 -52.97 0.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.56 -44.56 46.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.78 -53.95 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.771 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 19.1 m-85 -49.64 -52.0 33.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.98 -22.31 65.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -53.96 -44.48 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 81' ' ' ILE . 16.9 pt -76.06 -37.95 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 144.85 33.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.592 ' CD1' HD11 ' A' ' 79' ' ' ILE . 69.7 mt -105.51 97.57 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 111.119 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t -44.84 145.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -95.16 105.35 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 104' ' ' TYR . 72.9 mt -86.01 -52.7 5.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.608 HD22 HG22 ' A' ' 101' ' ' VAL . 17.1 tp -87.32 154.72 20.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -110.23 148.26 37.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.668 0.747 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.406 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.8 -46.46 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 p -63.01 -45.83 90.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -43.08 -51.28 5.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.7 mmt -50.07 -32.93 16.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 66' ' ' LYS . 40.4 t -85.25 -40.73 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.9 mt -52.52 -49.77 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.4 pp -100.51 179.99 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.72 -61.53 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.441 ' CD1' ' CG2' ' A' ' 35' ' ' THR . 25.2 mm -115.94 128.06 26.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -178.62 2.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 98' ' ' LYS . 1.4 m-20 -99.81 100.02 10.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' ASP . 14.6 ttmt -33.99 -57.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.6 mt -50.11 -45.08 52.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' ASP . 86.9 m -61.67 -51.61 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.608 HG22 HD22 ' A' ' 85' ' ' LEU . 98.1 t -63.2 -63.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 55.6 mtp -39.87 -49.62 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.8 m -52.77 -49.64 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.635 ' HA ' HD12 ' A' ' 84' ' ' LEU . 26.3 t80 -57.7 -46.07 84.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.803 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 11.5 mt -53.41 -59.8 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' LEU . 21.0 m-85 -36.18 -39.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -60.22 -44.69 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.551 HG13 HD13 ' A' ' 81' ' ' ILE . 4.1 mp -72.4 -56.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 tmt_? -54.8 -32.8 60.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.54 -43.74 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.534 ' CE1' HD12 ' A' ' 79' ' ' ILE . 20.2 t60 -51.94 -56.63 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -70.67 -60.66 2.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 t -94.95 119.29 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -91.65 135.17 34.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -53.88 -94.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 142.85 48.65 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.691 2.26 . . . . 0.0 112.324 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.6 p -121.36 -22.47 5.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.2 p -107.59 102.25 11.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -89.73 82.94 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -42.05 -61.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.55 59.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 p -122.33 136.14 54.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -85.21 161.67 19.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.66 80.52 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.459 ' CD ' ' HA3' ' A' ' 115' ' ' GLY . 54.5 Cg_endo -69.7 -0.18 6.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.392 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' PRO . 4.4 m120 -34.48 95.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -161.64 129.65 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 p -43.5 -58.55 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 16' ' ' VAL . 49.9 tp60 -50.73 -53.79 28.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -48.91 -49.35 40.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.97 -59.92 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -47.16 -47.08 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 12' ' ' GLN . 75.2 t -62.47 -44.08 98.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 88.8 t90 -52.81 -46.14 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 m -64.78 -52.81 54.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -59.33 -32.5 70.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -62.97 -69.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.515 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 3.5 m -51.08 -23.98 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.825 ' HB ' HG11 ' A' ' 28' ' ' VAL . 57.9 p -105.11 29.15 6.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 123.88 23.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 68.63 44.74 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.579 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 7.0 m-85 -102.45 174.87 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -75.42 90.41 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.85 67.05 2.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.825 HG11 ' HB ' ' A' ' 22' ' ' THR . 89.4 t -126.19 83.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 31' ' ' THR . 1.7 ttmp? -114.05 88.3 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 30' ' ' ILE . 5.2 mp -69.6 79.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 ' HG2' ' A' ' 29' ' ' LYS . 17.8 p -82.65 -33.12 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -135.16 -175.85 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.493 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 57.0 m-85 -122.99 26.93 7.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.469 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 0.8 OUTLIER -126.9 -56.14 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 38' ' ' ARG . 63.4 p -90.46 -53.09 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' THR . 2.2 m -37.42 -32.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 42' ' ' SER . 20.1 m95 -102.52 -25.93 13.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 35' ' ' THR . 15.3 ttp85 -34.18 -49.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 10.2 p-10 -67.21 -54.27 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.5 35.14 1.33 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' HG ' ' ND2' ' A' ' 39' ' ' ASN . 35.7 mt -85.56 -57.07 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 70.5 m -57.06 -41.05 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.19 -47.46 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.8 m -74.33 -39.21 62.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -58.05 -53.28 60.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.432 HG12 HG21 ' A' ' 21' ' ' VAL . 65.0 mt -50.59 -61.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 30.7 tp -52.54 -33.2 44.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.458 ' HB2' HD13 ' A' ' 55' ' ' ILE . 18.3 t-80 -73.95 -35.88 64.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.515 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 28.6 t60 -51.6 -54.3 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 66.3 m-85 -66.1 -45.12 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HB3' HD12 ' A' ' 54' ' ' LEU . 24.9 tpt180 -142.1 105.05 5.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.644 0.735 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.4 Cg_endo -69.83 -6.26 18.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.301 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -101.85 33.39 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.487 HD12 ' HB3' ' A' ' 51' ' ' ARG . 15.0 mt -120.45 -37.16 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.5 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -124.94 170.1 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' H ' HG22 ' A' ' 55' ' ' ILE . 1.1 m-20 -101.81 27.45 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.43 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 12.1 t80 -51.58 -27.51 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -56.63 -25.05 52.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -132.74 34.09 3.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 57' ' ' TYR . 11.9 mt -97.81 179.54 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' CB ' ' HG3' ' A' ' 63' ' ' GLN . 4.5 m120 -164.98 160.5 14.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 4.51 2.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.502 ' CD ' ' N ' ' A' ' 64' ' ' ASP . 1.8 pp0? -80.05 -22.1 42.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.502 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 21.7 m-20 -100.55 115.13 29.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.415 HG23 ' HA ' ' A' ' 39' ' ' ASN . 53.0 mt -99.64 -46.85 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 24.0 ttpp -75.91 -46.91 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 68' ' ' ASN . 44.2 tt0 -62.1 -66.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 67' ' ' GLU . 24.8 m-20 -33.93 -59.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 15.3 m-80 -58.7 -56.57 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' N ' ' HB3' ' A' ' 87' ' ' PRO . 17.1 ttpp -43.57 -47.99 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -52.82 29.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.03 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 16.2 m-85 -34.95 -39.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -67.18 -47.04 72.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -69.76 -59.58 5.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 31.8 m-85 -50.06 -46.55 53.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.04 -24.97 64.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -55.15 -47.85 74.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 81' ' ' ILE . 19.8 pt -70.0 -36.89 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.13 32.73 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.529 HD13 HG13 ' A' ' 108' ' ' ILE . 64.0 mt -100.89 95.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.9 m -44.45 109.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HA ' ' CE1' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -70.63 140.07 51.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 104' ' ' TYR . 12.5 mt -122.46 -52.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -79.12 145.04 33.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -109.37 150.62 41.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HB3' ' N ' ' A' ' 70' ' ' LYS . 53.5 Cg_endo -69.75 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.481 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 87.2 p -55.75 -60.8 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.706 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -37.4 -47.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.501 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 18.7 mmm -50.51 -43.21 55.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' SER . 90.5 t -72.08 -49.01 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 89' ' ' ASP . 55.5 mt -44.26 -61.51 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.0 pp -87.17 163.8 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.63 -56.64 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 93' ' ' LEU . 42.8 mm -118.9 126.74 26.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.648 0.737 . . . . 0.0 111.159 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.469 ' CG ' ' O ' ' A' ' 34' ' ' THR . 54.2 Cg_endo -69.71 -172.44 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' THR . 0.7 OUTLIER -100.27 100.15 10.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASP . 3.6 ttpm? -38.08 -48.6 1.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.13 -42.3 72.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 97' ' ' ASP . 13.5 m -64.58 -65.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.2 t -44.37 -60.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 20.4 mtp -43.84 -47.33 8.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.2 m -53.6 -54.17 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.559 ' HA ' HD12 ' A' ' 84' ' ' LEU . 13.4 t80 -53.5 -58.68 6.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.543 HD21 ' CH2' ' A' ' 37' ' ' TRP . 15.7 mt -38.5 -62.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 105' ' ' LEU . 20.6 m-85 -34.73 -39.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -60.42 -46.53 89.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.529 HG13 HD13 ' A' ' 81' ' ' ILE . 5.1 mp -69.51 -58.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -53.49 -36.41 61.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 106' ' ' TYR . . . -68.78 -46.84 67.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -51.75 -60.96 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.417 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 63.3 m-85 -60.96 -49.98 75.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -116.14 97.91 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 117' ' ' SER . 57.4 m -87.2 96.29 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.459 ' HA3' ' CD ' ' A' ' 8' ' ' PRO . . . -64.79 -62.04 5.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.5 Cg_endo -69.74 2.31 3.63 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 114' ' ' SER . 27.5 t -34.49 102.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.1 t -82.55 127.19 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -144.31 145.24 31.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -60.5 104.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.88 40.71 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 p -148.36 149.19 31.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -114.65 -62.81 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.82 -95.13 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -170.66 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.299 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.8 t30 49.32 46.3 23.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.0 122.83 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -71.74 -62.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' O ' HG23 ' A' ' 16' ' ' VAL . 28.4 tp60 -42.63 -43.07 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 m -43.0 -57.5 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 15' ' ' LEU . 12.8 tp -56.88 -64.05 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.74 ' CD1' HG22 ' A' ' 30' ' ' ILE . 5.0 tp -32.17 -65.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.592 ' HA ' ' HZ2' ' A' ' 19' ' ' LYS . 22.3 t -44.1 -59.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.623 ' HZ3' HD13 ' A' ' 46' ' ' ILE . 92.2 t90 -32.24 -41.19 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.9 m -77.45 -47.81 18.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.592 ' HZ2' ' HA ' ' A' ' 16' ' ' VAL . 5.6 mtmp? -56.63 -42.06 78.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.97 -70.23 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.553 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.5 m -49.8 -25.47 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.746 ' HB ' HG11 ' A' ' 28' ' ' VAL . 75.6 p -105.98 29.24 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -77.39 -21.65 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -118.13 50.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.478 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 8.2 m-85 -122.3 -178.39 3.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.3 ttp85 -125.01 104.94 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.51 42.36 5.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.746 HG11 ' HB ' ' A' ' 22' ' ' THR . 94.0 t -126.47 86.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -116.13 97.15 5.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.74 HG22 ' CD1' ' A' ' 15' ' ' LEU . 4.2 mp -74.81 81.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 m -94.2 -27.38 16.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -148.34 152.91 37.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.576 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 40.2 m-85 -92.1 13.56 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.7 p -111.45 -64.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 37' ' ' TRP . 59.3 p -80.85 -52.8 7.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 32' ' ' ASN . 1.2 t -38.33 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.764 ' CH2' HD21 ' A' ' 105' ' ' LEU . 16.6 m95 -111.22 -19.82 12.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' THR . 9.0 ttp85 -35.74 -49.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.66 ' HA ' HG23 ' A' ' 65' ' ' ILE . 1.1 p30 -74.3 -42.97 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.22 33.41 2.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 mt -83.42 -68.56 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.592 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.8 m -47.14 -21.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 5.4 m-85 -77.87 -41.32 37.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.52 -31.06 37.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -66.35 -44.18 83.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.623 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 63.9 mt -58.96 -60.07 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.666 ' HG ' HD11 ' A' ' 55' ' ' ILE . 45.5 tp -56.01 -30.75 62.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 63.9 t-80 -69.71 -42.17 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.553 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 46.5 t60 -47.19 -38.99 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -83.05 -50.16 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.4 tpt180 -134.81 102.84 11.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.74 2.37 3.58 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -104.84 -34.63 8.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 47' ' ' LEU . 12.0 mt -49.42 -34.56 16.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.666 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -128.39 177.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.642 ' H ' HG22 ' A' ' 55' ' ' ILE . 20.0 m-20 -110.63 27.7 9.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 16.0 t80 -51.84 -22.84 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -61.23 -28.82 69.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.8 t -128.55 31.03 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.9 mt -92.45 -174.88 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.4 m120 -173.62 159.88 3.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 3.32 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.8 pp0? -79.79 -13.15 59.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 15.5 m-20 -110.49 114.38 27.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.66 HG23 ' HA ' ' A' ' 39' ' ' ASN . 17.8 mt -98.44 -47.14 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HB2' HG21 ' A' ' 91' ' ' VAL . 40.2 ttmt -74.4 -52.34 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 70' ' ' LYS . 4.2 tp10 -56.25 -67.4 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLU . 16.4 m-20 -34.1 -46.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.3 m-80 -68.02 -44.79 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' GLU . 22.4 ttpp -61.26 -35.65 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' A' ' 55' ' ' ILE . 14.4 mttm -58.86 -52.16 66.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.689 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -55.48 -74.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.059 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' ALA . 5.0 m-85 -34.43 -51.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -48.95 -46.41 43.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -79.51 -53.15 4.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.689 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 20.9 m-85 -49.89 -56.84 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.52 -11.9 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 1.8 t -68.77 -38.06 79.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.75 HD12 ' CD2' ' A' ' 111' ' ' HIS . 7.6 pt -82.54 -23.96 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.82 30.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.631 ' CD1' HD11 ' A' ' 79' ' ' ILE . 82.7 mt -105.21 97.4 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -50.85 120.6 4.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.4 ptt85 -78.78 125.62 29.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -105.48 -54.0 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.546 HD22 HG22 ' A' ' 101' ' ' VAL . 20.7 tp -73.86 156.14 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -114.6 143.02 29.15 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.681 0.753 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -44.39 2.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.3 m -65.32 -42.13 93.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.76 -44.43 38.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 mmt -52.33 -41.72 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 66' ' ' LYS . 21.3 t -71.8 -50.14 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.3 mt -42.37 -67.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.604 ' C ' HD12 ' A' ' 93' ' ' LEU . 2.7 pp -84.34 -175.96 6.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.84 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.7 mm -111.0 129.98 23.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 179.14 3.9 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.53 103.46 15.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -42.25 -44.92 3.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.5 mt -53.68 -52.94 58.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.3 m -58.69 -67.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.546 HG22 HD22 ' A' ' 85' ' ' LEU . 96.4 t -39.3 -61.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.9 mtp -45.34 -44.5 11.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.9 m -57.35 -42.66 82.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -68.18 -49.93 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.764 HD21 ' CH2' ' A' ' 37' ' ' TRP . 8.3 mt -49.1 -55.94 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -40.63 -43.13 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -54.92 -56.76 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.63 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.7 mp -52.51 -57.91 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.533 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 9.5 ttt85 -49.92 -39.75 41.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.52 -45.18 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.75 ' CD2' HD12 ' A' ' 79' ' ' ILE . 5.1 t60 -47.12 -48.59 23.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -86.57 -60.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.9 t -65.61 175.34 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.9 m -111.13 134.32 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -125.97 -165.07 11.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 141.92 46.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.4 p -131.28 139.05 49.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.0 m -51.87 115.94 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -110.08 140.55 44.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 m -56.8 165.57 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.7 -129.83 3.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -152.59 119.47 5.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.83 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -109.59 149.0 30.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.96 174.85 1.94 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.36 57.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' ALA . 16.3 t-20 -151.56 -179.87 7.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' ASN . . . -47.72 176.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.4 t -42.51 -37.25 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.2 tm0? -42.26 -47.28 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 p -49.7 -39.16 35.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.545 HD22 ' CE1' ' A' ' 106' ' ' TYR . 67.2 tp -76.62 -62.22 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' O ' ' CD ' ' A' ' 19' ' ' LYS . 6.2 tp -43.37 -33.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.1 t -80.99 -44.71 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.479 ' O ' HG13 ' A' ' 21' ' ' VAL . 80.4 t90 -42.0 -49.78 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.4 t -69.15 -55.97 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' CG ' HD13 ' A' ' 30' ' ' ILE . 6.3 mtpm? -50.83 -20.0 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -81.01 -55.87 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.571 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 1.7 m -68.97 -13.59 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.921 ' HB ' HG11 ' A' ' 28' ' ' VAL . 81.3 p -108.59 23.9 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -65.69 125.18 24.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 62.22 50.54 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.523 ' CE1' ' HA ' ' A' ' 22' ' ' THR . 5.3 m-85 -104.77 -176.79 3.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -82.53 96.32 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 58.98 10.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.921 HG11 ' HB ' ' A' ' 22' ' ' THR . 98.7 t -115.95 89.61 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.858 0.361 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' THR . 69.8 tttt -118.5 83.82 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.633 ' H ' HD12 ' A' ' 30' ' ' ILE . 5.3 mp -60.49 75.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -85.5 -26.78 26.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.43 177.1 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.579 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 14.0 m-85 -112.26 8.84 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 73.0 p -111.99 -61.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 38' ' ' ARG . 40.6 p -78.15 -56.7 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' THR . 13.8 t -37.96 -31.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.631 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 18.1 m95 -107.41 -19.61 13.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 35' ' ' THR . 9.2 ttp85 -39.58 -47.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -73.95 -54.46 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.75 24.57 2.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.6 mt -75.91 -64.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.505 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 49.2 m -49.37 -39.34 31.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 12.1 m-85 -58.42 -55.85 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -64.97 -35.87 82.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -58.15 -46.87 84.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.71 -65.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.737 ' HG ' HD11 ' A' ' 55' ' ' ILE . 59.1 tp -50.91 -26.52 5.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 24.5 t-80 -79.79 -26.8 40.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.571 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 60.7 t60 -56.66 -42.9 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -86.49 -51.61 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.911 ' CB ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -120.16 90.95 45.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.712 . . . . 0.0 110.833 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.581 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.76 4.07 2.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 33.9 t0 -110.17 -22.5 11.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.911 HD12 ' CB ' ' A' ' 51' ' ' ARG . 7.5 mt -60.23 -42.89 96.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.737 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -116.43 -179.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.662 ' H ' HG22 ' A' ' 55' ' ' ILE . 18.6 m-20 -112.99 30.94 6.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 21.3 t80 -55.69 -19.81 12.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -69.09 -21.6 64.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -131.5 21.6 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD21 ' HZ3' ' A' ' 71' ' ' LYS . 9.6 mt -83.57 -174.9 5.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -171.59 159.92 4.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.42 2.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.389 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.409 ' C ' ' CD ' ' A' ' 63' ' ' GLN . 1.7 pp0? -80.78 -9.27 59.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 11.9 m-20 -114.88 113.76 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.428 HG23 ' HA ' ' A' ' 39' ' ' ASN . 59.4 mt -100.42 -42.68 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.623 ' HB2' HG21 ' A' ' 91' ' ' VAL . 25.9 ttmt -81.02 -42.25 21.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 68' ' ' ASN . 13.1 tt0 -66.82 -64.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 67' ' ' GLU . 32.8 m-20 -35.13 -52.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 18.1 m-80 -63.17 -56.21 18.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -46.18 -42.75 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HZ3' HD21 ' A' ' 60' ' ' LEU . 36.7 mttt -54.11 -42.7 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -65.87 -59.31 3.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.593 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 8.4 m-85 -46.55 -23.9 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.87 -39.45 51.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' HA3' HD21 ' A' ' 47' ' ' LEU . . . -82.33 -45.45 6.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 37.9 m-85 -65.48 -44.47 87.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 73' ' ' TYR . . . -71.12 -17.59 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.2 t -68.37 -46.95 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.556 HD12 ' NE2' ' A' ' 111' ' ' HIS . 8.5 pt -68.95 -35.09 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.35 37.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.533 ' CD1' HD11 ' A' ' 79' ' ' ILE . 62.0 mt -106.73 93.5 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.2 m -38.81 139.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -85.12 126.11 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 44.9 mt -113.08 -51.32 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.479 HD21 ' CE ' ' A' ' 90' ' ' MET . 21.1 tp -89.87 154.15 20.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -111.25 146.5 34.7 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.693 0.758 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.643 2.229 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 m -61.0 -45.9 92.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -43.0 -52.17 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.479 ' CE ' HD21 ' A' ' 85' ' ' LEU . 2.7 mmt -49.49 -39.1 32.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.623 HG21 ' HB2' ' A' ' 66' ' ' LYS . 59.1 t -70.5 -46.89 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.6 mt -53.28 -58.3 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.1 pp -87.38 155.42 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.36 -69.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.8 mm -105.74 123.58 38.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.679 0.752 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.8 Cg_endo -69.74 156.4 63.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.88 108.59 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -45.44 -51.86 10.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.0 mt -47.41 -57.15 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.5 m -51.49 -71.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.5 t -38.03 -57.61 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.4 mtp -49.26 -43.57 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.2 m -57.56 -39.63 77.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.442 ' CZ ' HD11 ' A' ' 108' ' ' ILE . 31.8 t80 -73.17 -43.68 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.631 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.2 mt -54.65 -51.13 66.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.545 ' CE1' HD22 ' A' ' 14' ' ' LEU . 29.9 m-85 -47.31 -30.21 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -69.04 -59.37 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.626 ' H ' HD12 ' A' ' 108' ' ' ILE . 4.7 mp -52.11 -47.1 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -62.63 -34.75 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.89 -51.5 25.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.556 ' NE2' HD12 ' A' ' 79' ' ' ILE . 32.2 t60 -46.09 -47.35 17.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -76.04 -57.75 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 t -114.76 118.82 34.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.3 m -97.73 174.74 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.27 -156.52 1.2 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.421 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 140.65 43.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 55.5 m -71.47 164.52 25.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.4 t -140.09 144.39 36.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -141.11 125.51 17.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m 46.97 43.25 13.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.88 166.78 26.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p -146.56 121.71 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m -66.3 96.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.53 119.83 4.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 10' ' ' ALA . 53.8 Cg_endo -69.73 2.53 3.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.9 82.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -171.63 168.31 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.3 m -72.83 -53.16 12.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.1 tt0 -48.02 -48.09 33.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -40.56 -60.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.34 -47.87 77.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.7 tp -51.24 -38.66 53.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' GLN . 40.2 t -75.28 -50.28 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.517 ' CZ2' ' HA ' ' A' ' 109' ' ' ARG . 87.2 t90 -39.09 -47.46 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.4 m -64.72 -71.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -38.81 -31.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -64.94 -54.79 25.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.562 ' HB ' ' CD2' ' A' ' 49' ' ' HIS . 2.2 m -66.59 -22.67 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.7 ' HB ' HG11 ' A' ' 28' ' ' VAL . 61.0 p -112.91 23.78 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -68.93 -29.01 67.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -107.44 43.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.451 ' CB ' HG21 ' A' ' 28' ' ' VAL . 6.9 m-85 -117.76 174.92 5.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -118.32 117.65 29.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.37 26.35 30.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.7 HG11 ' HB ' ' A' ' 22' ' ' THR . 15.9 t -112.34 103.42 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.377 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -135.01 72.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.711 ' H ' HD12 ' A' ' 30' ' ' ILE . 4.8 mp -60.16 76.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' LYS . 7.0 t -87.44 -19.97 27.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -141.41 -177.94 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' HE1' HD13 ' A' ' 105' ' ' LEU . 15.9 m-85 -125.4 19.86 8.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.4 -62.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.0 p -88.03 -12.97 42.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 t -74.21 -23.47 59.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.524 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 6.9 m95 -116.9 -8.47 11.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.677 ' O ' HG23 ' A' ' 65' ' ' ILE . 22.9 ttt-85 -44.23 -39.08 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -78.98 -45.92 19.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.76 24.24 5.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.81 -71.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.332 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.503 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 73.0 m -42.78 -46.36 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -52.49 -46.42 66.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.7 m -74.77 -29.78 61.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . . . -68.37 -43.73 76.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mt -58.28 -56.47 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.586 HD11 HD13 ' A' ' 54' ' ' LEU . 55.6 tp -58.98 -27.27 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.409 ' HB2' HD13 ' A' ' 55' ' ' ILE . 56.4 t-80 -78.57 -18.14 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CD2' ' HB ' ' A' ' 21' ' ' VAL . 76.0 t60 -68.76 -50.4 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.478 ' CE2' ' CD1' ' A' ' 112' ' ' PHE . 28.5 m-85 -69.17 -52.05 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 2.3 mmm-85 -132.94 103.8 12.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.7 Cg_endo -69.72 3.04 2.98 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -112.9 27.71 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 47' ' ' LEU . 15.9 mt -110.84 -41.15 4.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.688 HG22 ' H ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -120.51 -177.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.688 ' H ' HG22 ' A' ' 55' ' ' ILE . 55.0 m-20 -115.49 26.56 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 22.9 t80 -50.34 -19.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -63.73 -33.71 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.8 p -121.98 28.25 7.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 9.4 mt -91.02 -174.72 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.1 m120 -173.5 159.99 3.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.744 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.48 2.74 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.225 . . . . 0.0 112.341 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.444 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.77 -14.28 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 16.4 m-20 -110.49 114.0 27.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.677 HG23 ' O ' ' A' ' 38' ' ' ARG . 82.3 mt -99.46 -39.51 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -78.86 -49.29 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 68' ' ' ASN . 10.0 tt0 -60.77 -69.54 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.478 ' C ' ' O ' ' A' ' 67' ' ' GLU . 20.9 m-20 -32.15 -54.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.408 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 3.9 m-80 -60.96 -51.82 67.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -51.25 -52.07 48.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HE2' HD21 ' A' ' 60' ' ' LEU . 19.7 mtpp -44.18 -51.56 8.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -57.04 -70.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 72' ' ' ALA . 11.2 m-85 -34.49 -40.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.34 -47.38 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -66.48 -55.05 19.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.486 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 48.8 m-85 -56.78 -50.56 71.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.5 -5.63 8.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -73.45 -20.15 60.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.423 HD12 ' NE2' ' A' ' 111' ' ' HIS . 4.5 pt -105.8 -23.16 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.184 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.81 -5.8 2.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.602 HD13 HG13 ' A' ' 108' ' ' ILE . 41.2 mt -71.04 92.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.107 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.544 ' O ' HD12 ' A' ' 84' ' ' LEU . 75.0 m -55.15 127.87 31.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -74.84 123.11 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.606 HD13 ' HD1' ' A' ' 104' ' ' TYR . 7.8 mp -98.08 -47.94 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.614 HD22 HG22 ' A' ' 101' ' ' VAL . 9.5 tp -85.57 160.34 19.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -113.85 147.78 38.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.15 0.97 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.5 p -65.32 -46.52 79.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.493 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.1 m-20 -42.42 -48.85 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.1 mmt -55.75 -36.83 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.9 t -72.07 -41.46 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 89' ' ' ASP . 36.1 mt -58.91 -65.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.538 ' C ' HD12 ' A' ' 93' ' ' LEU . 4.4 pp -81.32 156.79 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.49 -57.84 3.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.533 ' C ' HD13 ' A' ' 93' ' ' LEU . 2.3 mm -115.75 124.07 30.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.63 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.8 m-20 -110.92 101.04 9.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' ASP . 12.5 ttpt -36.95 -52.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 mt -50.3 -50.28 51.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.3 m -57.73 -70.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.614 HG22 HD22 ' A' ' 85' ' ' LEU . 99.4 t -41.34 -60.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.1 mtp -42.68 -49.2 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -52.63 -56.47 15.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.606 ' HD1' HD13 ' A' ' 84' ' ' LEU . 12.3 t80 -50.48 -47.36 57.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.524 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.0 mt -53.36 -59.54 4.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 105' ' ' LEU . 11.7 m-85 -37.54 -32.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' LEU . 24.5 mm-40 -68.7 -44.15 74.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.602 HG13 HD13 ' A' ' 81' ' ' ILE . 3.8 mp -68.31 -54.25 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.517 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 8.8 ttt-85 -55.39 -40.76 71.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.57 80.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.423 ' NE2' HD12 ' A' ' 79' ' ' ILE . 18.2 t60 -51.04 -42.63 60.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.478 ' CD1' ' CE2' ' A' ' 50' ' ' PHE . 70.1 m-85 -85.57 -64.19 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.0 t -110.8 117.19 32.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.4 m -111.58 98.16 7.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 40.76 -158.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 91.44 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' SER . 29.7 t -156.54 157.57 35.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' SER . 3.0 m -37.29 150.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -161.01 157.81 26.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.82 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p 42.4 42.25 2.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.74 176.59 19.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 m -96.06 157.49 15.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -108.26 153.58 23.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.38 163.29 10.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 9' ' ' ASN . 53.5 Cg_endo -69.8 -30.55 21.91 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' PRO . 17.9 m-80 -34.46 -60.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.94 154.75 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.5 m -90.26 -46.4 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.711 ' O ' HG23 ' A' ' 16' ' ' VAL . 10.7 tt0 -37.72 -40.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.8 p -42.17 -57.3 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' CZ ' ' A' ' 33' ' ' PHE . 45.3 tp -57.55 -63.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD1' HG22 ' A' ' 30' ' ' ILE . 6.4 tp -40.4 -31.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 12' ' ' GLN . 59.6 t -80.24 -50.67 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.599 ' HZ3' HD13 ' A' ' 46' ' ' ILE . 76.4 t90 -35.55 -50.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.513 ' SG ' HD11 ' A' ' 46' ' ' ILE . 34.2 t -67.22 -67.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -42.0 -27.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.84 -56.38 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 17' ' ' TRP . 2.9 m -67.04 -16.47 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.56 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 72.5 p -107.2 25.32 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -68.49 -47.14 67.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -94.41 44.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 14.4 m-85 -118.3 168.56 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -114.11 129.11 56.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.89 48.18 74.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 25' ' ' TYR . 12.2 t -131.8 107.16 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.157 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.88 127.8 31.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.401 HG22 ' CD1' ' A' ' 15' ' ' LEU . 5.3 mp -113.05 86.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.655 HG23 ' ND2' ' A' ' 32' ' ' ASN . 9.5 t -93.86 -30.79 14.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.655 ' ND2' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -148.7 145.94 27.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 105' ' ' LEU . 38.2 m-85 -80.37 39.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 96' ' ' PRO . 32.0 p -128.84 -68.61 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -86.67 -38.11 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 48.9 m -46.33 -28.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.868 ' CZ3' HD21 ' A' ' 105' ' ' LEU . 14.3 m95 -111.11 -22.19 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 94' ' ' ALA . 5.5 ttp180 -35.32 -57.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.496 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 8.8 p-10 -59.95 -55.56 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.42 -7.55 9.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 62' ' ' PRO . 15.2 mt -51.11 -55.04 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -54.59 -46.63 73.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 37' ' ' TRP . 9.5 m-85 -53.13 -49.25 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 70.0 m -67.53 -44.7 77.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.98 -54.46 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.599 HD13 ' HZ3' ' A' ' 17' ' ' TRP . 43.0 mt -51.54 -60.45 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.665 ' HG ' HD11 ' A' ' 55' ' ' ILE . 35.1 tp -57.83 -24.41 57.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 57' ' ' TYR . 47.9 t-80 -77.22 -33.55 56.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.447 ' CA ' ' OH ' ' A' ' 25' ' ' TYR . 11.9 t60 -59.52 -47.32 85.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CD2' ' CE2' ' A' ' 112' ' ' PHE . 2.0 m-85 -71.15 -38.71 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.81 ' HB2' HD12 ' A' ' 54' ' ' LEU . 6.0 mmt180 -144.95 105.38 4.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.858 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.6 5.42 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.302 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -108.4 -31.48 7.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.81 HD12 ' HB2' ' A' ' 51' ' ' ARG . 12.8 mt -47.73 -40.67 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.665 HD11 ' HG ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -125.46 177.08 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.813 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.612 ' H ' HG22 ' A' ' 55' ' ' ILE . 2.7 t70 -108.21 30.12 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.583 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 36.4 t80 -53.92 -21.9 8.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -62.74 -24.23 67.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -130.94 28.72 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 61' ' ' ASN . 10.1 mt -92.95 -174.84 3.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 5.9 m120 -172.1 159.62 4.39 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' HB3' HD11 ' A' ' 41' ' ' LEU . 53.5 Cg_endo -69.85 3.17 2.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 1.9 pp0? -79.93 -10.53 59.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.427 ' CG ' ' OE1' ' A' ' 63' ' ' GLN . 16.0 m-20 -114.6 113.55 24.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.1 mt -95.31 -52.4 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' CD ' ' HA ' ' A' ' 88' ' ' SER . 15.4 ttpp -68.5 -55.4 11.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 3.0 tp10 -52.45 -67.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' GLU . 54.2 m-20 -35.33 -40.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 39' ' ' ASN . 3.4 m-80 -75.43 -47.75 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' GLU . 18.4 ttpt -56.14 -40.96 74.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -53.89 -48.73 69.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.563 ' HB1' ' CE2' ' A' ' 76' ' ' PHE . . . -63.2 -63.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.442 ' CZ ' ' O ' ' A' ' 85' ' ' LEU . 22.6 m-85 -39.09 -35.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.33 -38.98 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -72.64 -60.69 3.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 46.3 m-85 -50.95 -49.79 59.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.08 -27.18 68.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 t -48.81 -32.85 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 76' ' ' PHE . 8.7 pt -93.8 -31.1 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.15 -23.69 0.59 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.543 HD13 HG13 ' A' ' 108' ' ' ILE . 97.4 mt -57.37 90.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.3 m -47.04 171.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.45 106.16 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.65 HD13 ' HD1' ' A' ' 104' ' ' TYR . 6.9 mp -88.25 -36.38 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.446 HD22 HG22 ' A' ' 101' ' ' VAL . 15.7 tp -105.07 140.44 38.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -99.21 148.32 34.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.403 ' HD3' ' CD2' ' A' ' 73' ' ' TYR . 53.9 Cg_endo -69.77 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.472 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 90.7 p -53.63 -55.44 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.438 ' HA ' HD12 ' A' ' 92' ' ' LEU . 5.4 m-20 -38.59 -47.98 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.9 mmt -50.78 -45.54 59.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.69 -46.89 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 89' ' ' ASP . 29.2 mt -55.38 -69.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.96 147.2 48.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.422 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -69.31 -48.03 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.2 mm -128.42 123.35 22.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.488 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.7 Cg_endo -69.76 151.01 68.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.317 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.79 109.97 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -49.16 -44.69 43.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.37 -51.88 66.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.5 m -57.51 -55.59 32.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.446 HG22 HD22 ' A' ' 85' ' ' LEU . 87.9 t -53.27 -61.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.4 mtp -46.57 -41.7 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.7 m -56.78 -54.33 47.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.65 ' HD1' HD13 ' A' ' 84' ' ' LEU . 17.3 t80 -53.94 -58.85 5.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.868 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 15.1 mt -42.72 -57.31 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' LEU . 19.1 m-85 -36.84 -34.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 105' ' ' LEU . 65.8 mm-40 -65.75 -56.59 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 108' ' ' ILE . 5.3 mp -57.56 -62.46 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.421 ' HG3' ' CG ' ' A' ' 17' ' ' TRP . 22.9 ttt180 -47.87 -36.06 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.14 -31.77 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -67.4 -48.91 65.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.701 ' CE2' ' CD2' ' A' ' 50' ' ' PHE . 36.6 m-85 -79.72 -42.31 24.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -130.77 103.0 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.6 p -100.52 140.6 34.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.39 -179.25 21.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 101.1 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 0.0 112.388 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.7 m -129.84 176.5 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -157.1 151.73 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.97 . . . . . . . . 0 0 . 1 stop_ save_